Vitas-M small molecule compound
benzyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047266
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)OC)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 C32H30BrNO5 MW 588.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30BrNO5/c1-19-29(32(36)39-18-20-7-5-4-6-8-20)30(22-11-14-28(38-3)25(33)15-22)31-26(34-19)16-23(17-27(31)35)21-9-12-24(37-2)13-10-21/h4-15,23,30,34H,16-18H2,1-3H3InChIKey
RTRRAEQXNATUSI-UHFFFAOYSA-NSynonyms
benzyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)Br)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)OC)C(=O)OCc1ccccc1)C
InChI=1SC32H30BrNO5c11929(32(36)3918207546820)30(22111428(383)25(33)1522)3126(3419)1623(1727(31)35)2191224(372)131021h415233034H1618H213H3
MFCD01656002
STK047266
ZINC000100079602
ZINC000100079606
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