Vitas-M small molecule compound
benzyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402894
SMILES COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
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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 C29H26N2O7S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O7S/c1-16-25(29(34)38-15-17-7-4-3-5-8-17)26(19-12-21(31(35)36)28(33)23(14-19)37-2)27-20(30-16)11-18(13-22(27)32)24-9-6-10-39-24/h3-10,12,14,18,26,30,33H,11,13,15H2,1-2H3InChIKey
GMCUHKJVWDYORJ-UHFFFAOYSA-NSynonyms
benzyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)O)(N+)(=O)(O))C(=O)OCC5=CC=CC=C5
COc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
InChI=1SC29H26N2O7Sc11625(29(34)3815177435817)26(191221(31(35)36)28(33)23(1419)372)2720(3016)1118(1322(27)32)2496103924h310121418263033H111315H212H3
MFCD03370934
ZINC000033355646
ZINC000033355649
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