Vitas-M small molecule compound
2-methylpropyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402491
SMILES COc1cccc(c1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-16(2)15-36-29(33)25-17(3)31-22-13-19(18-9-11-20(30)12-10-18)14-23(32)27(22)26(25)21-7-6-8-24(34-4)28(21)35-5/h6-12,16,19,26,31H,13-15H2,1-5H3InChIKey
CBXHLXREQCKALK-UHFFFAOYSA-NSynonyms
2methylpropyl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C(=CC=C4)OC)OC)C(=O)OCC(C)C
InChI=1SC29H32ClNO5c116(2)153629(33)2517(3)31221319(1891120(30)121018)1423(32)27(22)26(25)2176824(344)28(21)355h61216192631H1315H215H3
MFCD01572218
ZINC000000861019
ZINC000000861022
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