Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407221
SMILES COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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 C30H32BrNO4 MW 550.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO4/c1-18-27(30(34)36-22-11-7-4-8-12-22)28(20-13-14-26(35-2)23(31)15-20)29-24(32-18)16-21(17-25(29)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,21-22,28,32H,4,7-8,11-12,16-17H2,1-2H3InChIKey
ZKWNVGWYRHTDFP-UHFFFAOYSA-NSynonyms
331972-64-6331972646
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Br)C(=O)OC5CCCCC5
cyclohexyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32BrNO4c11827(30(34)3622117481222)28(20131426(352)23(31)1520)2924(3218)1621(1725(29)33)1995361019h356910131521222832H47811121617H212H3
MFCD00771564
ZINC000002740948
ZINC000002740951
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