Vitas-M small molecule compound

7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK781181
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1cc(ccc1C)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H24N4O3S MW 484.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S/c1-17-8-9-18(31(33)34)13-20(17)30-21-14-27(2,3)15-22(32)25(21)24(23-7-6-12-35-23)19(16-28)26(30)29-10-4-5-11-29/h4-13,24H,14-15H2,1-3H3
InChIKey
QBKULFQKLIPHAV-UHFFFAOYSA-N
Synonyms
77dimethyl1(2methyl5nitrophenyl)5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile
77DIMETHYL1(2METHYL5NITROPHENYL)5OXO2PYRROL1YL4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC=CS5)C(=O)CC(C3)(C)C
N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1cc(ccc1C)(N+)(=O)(O)
Registry IDs
MFCD06014448
ZINC000001432902
ZINC000001432903

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Available files

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