Vitas-M small molecule compound

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

Catalog ID
STK035135
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1ccccc1)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 C30H26N2O6 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6/c1-18-27(30(35)38-17-19-8-4-2-5-9-19)28(21-12-13-25(33)24(15-21)32(36)37)29-23(31-18)14-22(16-26(29)34)20-10-6-3-7-11-20/h2-13,15,22,28,31,33H,14,16-17H2,1H3
InChIKey
GLHPGZLPYRNVAR-UHFFFAOYSA-N
Synonyms

benzyl4(4hydroxy3nitrophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(4hydroxy3nitrophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)(N+)(=O)(O))C(=O)OCC5=CC=CC=C5
InChI=1SC30H26N2O6c11827(30(35)3817198425919)28(21121325(33)24(1521)32(36)37)2923(3118)1422(1626(29)34)20106371120h2131522283133H141617H21H3
MFCD00771615
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1ccccc1)OCc1ccccc1
STK035135
ZINC000096287846
ZINC000096287849

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.