Vitas-M small molecule compound
methyl 4-[4-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030689
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C31H28ClNO4 MW 514.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO4/c1-19-28(31(35)36-2)29(22-10-14-25(15-11-22)37-18-20-6-4-3-5-7-20)30-26(33-19)16-23(17-27(30)34)21-8-12-24(32)13-9-21/h3-15,23,29,33H,16-18H2,1-2H3InChIKey
FCBQWSRHPWFNCF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC31H28ClNO4c11928(31(35)362)29(22101425(151122)3718206435720)3026(3319)1623(1727(30)34)2181224(32)13921h315232933H1618H212H3
methyl4(4(benzyloxy)phenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)2methyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD01445626
STK030689
ZINC000000666694
ZINC000000666702
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