Vitas-M small molecule compound
cyclopentyl 4-(2-bromo-4,5-dimethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004296
SMILES COc1cc(Br)c(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)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 C30H31BrClNO5 MW 600.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrClNO5/c1-16-27(30(35)38-20-6-4-5-7-20)28(21-14-25(36-2)26(37-3)15-22(21)31)29-23(33-16)12-18(13-24(29)34)17-8-10-19(32)11-9-17/h8-11,14-15,18,20,28,33H,4-7,12-13H2,1-3H3InChIKey
YKANYHZMUSZSKF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4Br)OC)OC)C(=O)OC5CCCC5
COc1cc(Br)c(cc1OC)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H31BrClNO5c11627(30(35)3820645720)28(211425(362)26(373)1522(21)31)2923(3316)1218(1324(29)34)1781019(32)11917h811141518202833H471213H213H3
MFCD01655990
STK004296
ZINC000100079633
ZINC000100079641
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