Vitas-M small molecule compound
7,7-dimethyl-1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781175
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])C
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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/c1-17-8-9-19(20(13-17)31(33)34)30-21-14-27(2,3)15-22(32)25(21)24(23-7-6-12-35-23)18(16-28)26(30)29-10-4-5-11-29/h4-13,24H,14-15H2,1-3H3InChIKey
NXKFBLSDLLCGLA-UHFFFAOYSA-NSynonyms
77dimethyl1(4methyl2nitrophenyl)5oxo2(1Hpyrrol1yl)4(thiophen2yl)145678hexahydroquinoline3carbonitrile
77DIMETHYL1(4METHYL2NITROPHENYL)5OXO2PYRROL1YL4THIOPHEN2YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=C(C=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC=CS5)C(=O)CC(C3)(C)C)(N+)(=O)(O)
InChI=1SC27H24N4O3Sc1178919(20(1317)31(33)34)30211427(23)1522(32)25(21)24(2376123523)18(1628)26(30)2910451129h41324H1415H213H3
MFCD06014442
N#CC1=C(n2cccc2)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)c1ccc(cc1(N+)(=O)(O))C
ZINC000012447360
ZINC000012447362
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