Vitas-M small molecule compound
cyclopentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077716
SMILES COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1
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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 C30H32BrNO5 MW 566.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO5/c1-17-27(30(34)37-20-11-7-8-12-20)28(21-15-25(35-2)26(36-3)16-22(21)31)29-23(32-17)13-19(14-24(29)33)18-9-5-4-6-10-18/h4-6,9-10,15-16,19-20,28,32H,7-8,11-14H2,1-3H3InChIKey
UKPQXGLLCQUQJB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OC5CCCC5
COc1cc(Br)c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1
cyclopentyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(2bromo45dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32BrNO5c11727(30(34)372011781220)28(211525(352)26(363)1622(21)31)2923(3217)1319(1424(29)33)1895461018h46910151619202832H781114H213H3
MFCD01528068
STK077716
ZINC000001082052
ZINC000001082055
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