Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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1 – 15 of 27,377 results

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Artesunate, Thermo Scientific Chemicals

CAS: 88495-63-0 Molecular Formula: C₁₉H₂₈O₈ Molecular Weight (g/mol): 384.42 InChI Key: FIHJKUPKCHIPAT-RVBFJZMGSA-N Synonym: artesunate PubChem CID: 129317578 SMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C

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PubChem CID	129317578
CAS	88495-63-0
Molecular Weight (g/mol)	384.42
SMILES	CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Synonym	artesunate
InChI Key	FIHJKUPKCHIPAT-RVBFJZMGSA-N
Molecular Formula	C₁₉H₂₈O₈

Tyloxapol, Thermo Scientific Chemicals

CAS: 25301-02-4 MDL Number: MFCD00149002 Synonym: Ethoxylated p-tert-octylphenol formaldehyde polymer

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CAS	25301-02-4
MDL Number	MFCD00149002
Synonym	Ethoxylated p-tert-octylphenol formaldehyde polymer

Decamethylferrocene, 99%, Thermo Scientific Chemicals

CAS: 12126-50-0 Molecular Formula: C20H30Fe Molecular Weight (g/mol): 326.31 MDL Number: MFCD00058736 InChI Key: VKRKSGODPDKGAD-UHFFFAOYSA-N Synonym: Bis(pentamethylcyclopentadienyl)iron(II) SMILES: Cc1c(C)c(C)[c-](C)c1C.C[C-]12[C-]3(C)[C-]4(C)[C-]5(C)[C-]1(C)[Fe]2345

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CAS	12126-50-0
Molecular Weight (g/mol)	326.31
MDL Number	MFCD00058736
SMILES	Cc1c(C)c(C)[c-](C)c1C.C[C-]12[C-]3(C)[C-]4(C)[C-]5(C)[C-]1(C)[Fe]2345
Synonym	Bis(pentamethylcyclopentadienyl)iron(II)
InChI Key	VKRKSGODPDKGAD-UHFFFAOYSA-N
Molecular Formula	C20H30Fe

Vinylferrocene, Thermo Scientific Chemicals

CAS: 1271-51-8 Molecular Formula: C12H12Fe Molecular Weight (g/mol): 212.07 MDL Number: MFCD00001434 InChI Key: VGBAECKRTWHKHC-UHFFFAOYSA-N IUPAC Name: Vinylferrocene SMILES: [Fe].c1cccc1.C=Cc1cccc1

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CAS	1271-51-8
Molecular Weight (g/mol)	212.07
MDL Number	MFCD00001434
SMILES	[Fe].c1cccc1.C=Cc1cccc1
IUPAC Name	Vinylferrocene
InChI Key	VGBAECKRTWHKHC-UHFFFAOYSA-N
Molecular Formula	C12H12Fe

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Artemether, Thermo Scientific Chemicals

CAS: 71963-77-4 Molecular Formula: C16H26O5 Molecular Weight (g/mol): 298.38 InChI Key: SXYIRMFQILZOAM-HVNFFKDJSA-N IUPAC Name: (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecane SMILES: CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3

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CAS	71963-77-4
Molecular Weight (g/mol)	298.38
SMILES	CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
IUPAC Name	(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecane
InChI Key	SXYIRMFQILZOAM-HVNFFKDJSA-N
Molecular Formula	C16H26O5

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Benorylate, Thermo Scientific Chemicals

CAS: 5003-48-5 Molecular Formula: C17H15NO5 Molecular Weight (g/mol): 313.31 MDL Number: MFCD00864257 InChI Key: FEJKLNWAOXSSNR-UHFFFAOYSA-N Synonym: Benorilate IUPAC Name: 4-acetamidophenyl 2-(acetyloxy)benzoate SMILES: CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1

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CAS	5003-48-5
Molecular Weight (g/mol)	313.31
MDL Number	MFCD00864257
SMILES	CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1
Synonym	Benorilate
IUPAC Name	4-acetamidophenyl 2-(acetyloxy)benzoate
InChI Key	FEJKLNWAOXSSNR-UHFFFAOYSA-N
Molecular Formula	C17H15NO5

ITIC, Thermo Scientific Chemicals

CAS: 1664293-06-4 Molecular Formula: C94H82N4O2S4 Molecular Weight (g/mol): 1427.96 InChI Key: HQOWCDPFDSRYRO-UHFFFAOYSA-N Synonym: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene IUPAC Name: 2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile SMILES: CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1

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CAS	1664293-06-4
Molecular Weight (g/mol)	1427.96
SMILES	CCCCCCC1=CC=C(C=C1)C1(C2=CC3=C(C=C2C2=C1C1=C(S2)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C(C1=C3SC2=C1SC(C=C1C(=O)C3=CC=CC=C3C1=C(C#N)C#N)=C2)(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
Synonym	3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-i:5,6-b’]dithiophene
IUPAC Name	2-{2-[(20-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0³,¹³.0⁴,¹¹.0⁶,¹⁰.0¹⁶,²³.0¹⁸,²²]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
InChI Key	HQOWCDPFDSRYRO-UHFFFAOYSA-N
Molecular Formula	C94H82N4O2S4

IEICO, Thermo Scientific Chemicals

CAS: 2055812-53-6 Molecular Formula: C114H118N4O4S4 Molecular Weight (g/mol): 1736.46 InChI Key: MLLSAVAQBWNXIZ-UHFFFAOYNA-N Synonym: 2,2 '-((2 Z,2 'Z)-((5,5 '-bis(4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis(4-((2- ethylhexyl)oxy)thiophene-5,2-diyl))bis(methanylylidene))bis- (3-oxo-2,3-dihydro-1 H-indene-2,1-diylidene))dimalononitrile IUPAC Name: 2-[2-({5-[15-(5-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3-[(2-ethylhexyl)oxy]thiophen-2-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.0³,¹⁰.0⁴,⁸.0¹³,¹⁷]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-4-[(2-ethylhexyl)oxy]thiophen-2-yl}methylidene)-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile SMILES: CCCCCCC1=CC=C(C=C1)C1(C2=C(SC(=C2)C2=C(OCC(CC)CCCC)C=C(S2)C=C2C(=O)C3=CC=CC=C3C2=C(C#N)C#N)C2=CC3=C(C=C12)C1=C(C=C(S1)C1=C(OCC(CC)CCCC)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C3(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1

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CAS	2055812-53-6
Molecular Weight (g/mol)	1736.46
SMILES	CCCCCCC1=CC=C(C=C1)C1(C2=C(SC(=C2)C2=C(OCC(CC)CCCC)C=C(S2)C=C2C(=O)C3=CC=CC=C3C2=C(C#N)C#N)C2=CC3=C(C=C12)C1=C(C=C(S1)C1=C(OCC(CC)CCCC)C=C(S1)C=C1C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C3(C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1)C1=CC=C(CCCCCC)C=C1
Synonym	2,2 '-((2 Z,2 'Z)-((5,5 '-bis(4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis(4-((2- ethylhexyl)oxy)thiophene-5,2-diyl))bis(methanylylidene))bis- (3-oxo-2,3-dihydro-1 H-indene-2,1-diylidene))dimalononitrile
IUPAC Name	2-[2-({5-[15-(5-{[1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3-[(2-ethylhexyl)oxy]thiophen-2-yl)-9,9,18,18-tetrakis(4-hexylphenyl)-5,14-dithiapentacyclo[10.6.0.0³,¹⁰.0⁴,⁸.0¹³,¹⁷]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]-4-[(2-ethylhexyl)oxy]thiophen-2-yl}methylidene)-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile
InChI Key	MLLSAVAQBWNXIZ-UHFFFAOYNA-N
Molecular Formula	C114H118N4O4S4

PDPPTT, Thermo Scientific Chemicals

CAS: 1260685-66-2 Molecular Formula: (C{6}{8}H{1}{0}{4}N{2}O{2}S{4})n Synonym: Poly[2,5-(2-decyltetradecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5- di(thien-2- yl)thieno[3,2-b]thiophene)]

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CAS	1260685-66-2
Synonym	Poly[2,5-(2-decyltetradecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5- di(thien-2- yl)thieno[3,2-b]thiophene)]
Molecular Formula	(C{6}{8}H{1}{0}{4}N{2}O{2}S{4})n

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Silodosin, Thermo Scientific Chemicals

CAS: 160970-54-7 Molecular Formula: C25H32F3N3O4 Molecular Weight (g/mol): 495.54 InChI Key: PNCPYILNMDWPEY-QGZVFWFLSA-N IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide SMILES: C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F

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CAS	160970-54-7
Molecular Weight (g/mol)	495.54
SMILES	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
IUPAC Name	1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
InChI Key	PNCPYILNMDWPEY-QGZVFWFLSA-N
Molecular Formula	C25H32F3N3O4

PDCBT, Thermo Scientific Chemicals

CAS: 1609536-17-5 Molecular Formula: C42H56O4S4 Molecular Weight (g/mol): 753.15 InChI Key: WZMUYZASTRRKIK-UHFFFAOYNA-N Synonym: Poly[5,5 '-bis(2-butyloctyl)-(2,2 '-bithiophene)-4,4 '-dicarboxylate-alt-5,5 '-2,2 '- bithiophene] SMILES: CCCCCCC(CCCC)COC(=O)C1=C(S[C]=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(C=[C]S1)C(=O)OCC(CCCC)CCCCCC

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CAS	1609536-17-5
Molecular Weight (g/mol)	753.15
SMILES	CCCCCCC(CCCC)COC(=O)C1=C(S[C]=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(C=[C]S1)C(=O)OCC(CCCC)CCCCCC
Synonym	Poly[5,5 '-bis(2-butyloctyl)-(2,2 '-bithiophene)-4,4 '-dicarboxylate-alt-5,5 '-2,2 '- bithiophene]
InChI Key	WZMUYZASTRRKIK-UHFFFAOYNA-N
Molecular Formula	C42H56O4S4

Y5, Thermo Scientific Chemicals

CAS: 2304444-48-0 Molecular Formula: C{8}{2}H{9}{0}N{8}O{2}S{5} Synonym: (2,2’-((2 Z,2’Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro[1,2,5 ]thiadiazolo[3,4 e]thieno[2’’,3’’:4’,5’] thieno[2’,3’:4,5 ]pyrrolo[3,2-g] thieno[2’,3’:4,5 ]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(3-oxo-2,3-dihydro1H-indene-2,1-diylidene))dimalononitrile)

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CAS	2304444-48-0
Synonym	(2,2’-((2 Z,2’Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro[1,2,5 ]thiadiazolo[3,4 e]thieno[2’’,3’’:4’,5’] thieno[2’,3’:4,5 ]pyrrolo[3,2-g] thieno[2’,3’:4,5 ]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(3-oxo-2,3-dihydro1H-indene-2,1-diylidene))dimalononitrile)
Molecular Formula	C{8}{2}H{9}{0}N{8}O{2}S{5}

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Dypnone, Thermo Scientific Chemicals

CAS: 495-45-4 Molecular Formula: C16H14O Molecular Weight (g/mol): 222.29 MDL Number: MFCD00043705 InChI Key: PLELHVCQAULGBH-OUKQBFOZSA-N Synonym: beta-Methylchalcone; beta-Methylstyryl phenyl ketone IUPAC Name: (2E)-1,3-diphenylbut-2-en-1-one SMILES: C\C(=C/C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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CAS	495-45-4
Molecular Weight (g/mol)	222.29
MDL Number	MFCD00043705
SMILES	C\C(=C/C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	beta-Methylchalcone; beta-Methylstyryl phenyl ketone
IUPAC Name	(2E)-1,3-diphenylbut-2-en-1-one
InChI Key	PLELHVCQAULGBH-OUKQBFOZSA-N
Molecular Formula	C16H14O

Elastatinal, Thermo Scientific Chemicals

CAS: 51798-45-9 Molecular Formula: C21H36N8O7 Molecular Weight (g/mol): 512.568 MDL Number: MFCD00151180 InChI Key: IJWCGVPEDDQUDE-WXZHEDMLSA-N Synonym: elastatinal,leu-co-cpd-gln-ala-h PubChem CID: 15942859 IUPAC Name: (2S)-2-[[(1S)-2-[[(2S)-5-amino-1,5-dioxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)NC(=O)NC(C1CCN=C(N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O

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PubChem CID	15942859
CAS	51798-45-9
Molecular Weight (g/mol)	512.568
MDL Number	MFCD00151180
SMILES	CC(C)CC(C(=O)O)NC(=O)NC(C1CCN=C(N1)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C=O
Synonym	elastatinal,leu-co-cpd-gln-ala-h
IUPAC Name	(2S)-2-[[(1S)-2-[[(2S)-5-amino-1,5-dioxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
InChI Key	IJWCGVPEDDQUDE-WXZHEDMLSA-N
Molecular Formula	C21H36N8O7

Eplerenone, Thermo Scientific Chemicals

CAS: 107724-20-9 Molecular Formula: C24H30O6 Molecular Weight (g/mol): 414.50 InChI Key: JUKPWJGBANNWMW-VWBFHTRKSA-N IUPAC Name: methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadecan]-6'-ene-9'-carboxylate SMILES: COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13

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CAS	107724-20-9
Molecular Weight (g/mol)	414.50
SMILES	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
IUPAC Name	methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadecan]-6'-ene-9'-carboxylate
InChI Key	JUKPWJGBANNWMW-VWBFHTRKSA-N
Molecular Formula	C24H30O6

Unclassified Organic Compounds

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