Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030618
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)OC)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 C31H34BrNO5 MW 580.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34BrNO5/c1-18-28(31(35)38-23-7-5-4-6-8-23)29(20-11-14-27(37-3)24(32)15-20)30-25(33-18)16-21(17-26(30)34)19-9-12-22(36-2)13-10-19/h9-15,21,23,29,33H,4-8,16-17H2,1-3H3InChIKey
WKPDYGDGBFXPSA-UHFFFAOYSA-NSynonyms
5720-51-45720514
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)Br)C(=O)OC5CCCCC5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)OC)C(=O)OC1CCCCC1)C
cyclohexyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34BrNO5c11828(31(35)38237546823)29(20111427(373)24(32)1520)3025(3318)1621(1726(30)34)1991222(362)131019h91521232933H481617H213H3
MFCD01825058
STK030618
ZINC000100578650
ZINC000100578660
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