Vitas-M small molecule compound
cyclohexyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079083
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)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 C30H31BrClNO5 MW 600.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrClNO5/c1-16-26(30(36)38-21-6-4-3-5-7-21)27(19-12-22(31)29(35)25(15-19)37-2)28-23(33-16)13-18(14-24(28)34)17-8-10-20(32)11-9-17/h8-12,15,18,21,27,33,35H,3-7,13-14H2,1-2H3InChIKey
PAYVBYUVHZEZCN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC5CCCCC5
COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
cyclohexyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H31BrClNO5c11626(30(36)38216435721)27(191222(31)29(35)25(1519)372)2823(3316)1318(1424(28)34)1781020(32)11917h812151821273335H371314H212H3
MFCD01823975
STK079083
ZINC000100573411
ZINC000100573414
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