Vitas-M small molecule compound

benzyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK088406
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OCc1ccccc1)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 C31H28N2O6 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6/c1-19-28(31(35)39-18-20-7-4-3-5-8-20)29(22-9-6-10-24(15-22)33(36)37)30-26(32-19)16-23(17-27(30)34)21-11-13-25(38-2)14-12-21/h3-15,23,29,32H,16-18H2,1-2H3
InChIKey
FFFCOIFKBQTWQU-UHFFFAOYSA-N
Synonyms
5727-58-2
5727582
benzyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OCc1ccccc1)C
ETHANOL2((57DIHYDRO2(1PYRROLIDINYL)THIENO(34D)PYRIMIDIN4YL)AMINO)
InChI=1SC31H28N2O6c11928(31(35)3918207435820)29(22961024(1522)33(36)37)3026(3219)1623(1727(30)34)21111325(382)141221h315232932H1618H212H3
MFCD02632958
STK088406
ZINC000001204596
ZINC000001204610

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Available files

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