Vitas-M small molecule compound
benzyl 4-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097083
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)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 C31H28BrNO4 MW 558.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrNO4/c1-19-28(31(35)37-18-20-6-4-3-5-7-20)29(22-8-12-24(32)13-9-22)30-26(33-19)16-23(17-27(30)34)21-10-14-25(36-2)15-11-21/h3-15,23,29,33H,16-18H2,1-2H3InChIKey
CHOIIYMVGMMRQX-UHFFFAOYSA-NSynonyms
benzyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)C(=O)OCc1ccccc1)C
InChI=1SC31H28BrNO4c11928(31(35)3718206435720)29(2281224(32)13922)3026(3319)1623(1727(30)34)21101425(362)151121h315232933H1618H212H3
MFCD01529770
STK097083
ZINC000100559256
ZINC000100559265
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