Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006697
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCCC1)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 C31H34N2O7 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7/c1-18-28(31(35)40-23-10-5-4-6-11-23)29(20-8-7-9-22(14-20)33(36)37)30-24(32-18)15-21(16-25(30)34)19-12-13-26(38-2)27(17-19)39-3/h7-9,12-14,17,21,23,29,32H,4-6,10-11,15-16H2,1-3H3InChIKey
AEIZBJYIJQQVEU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC5CCCCC5
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34N2O7c11828(31(35)4023105461123)29(2087922(1420)33(36)37)3024(3218)1521(1625(30)34)19121326(382)27(1719)393h7912141721232932H4610111516H213H3
MFCD02224225
STK006697
ZINC000000863445
ZINC000000863448
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