Vitas-M small molecule compound
cyclohexyl 4-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015748
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)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 C30H32BrNO4 MW 550.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO4/c1-18-27(30(34)36-24-6-4-3-5-7-24)28(20-8-12-22(31)13-9-20)29-25(32-18)16-21(17-26(29)33)19-10-14-23(35-2)15-11-19/h8-15,21,24,28,32H,3-7,16-17H2,1-2H3InChIKey
KMWPQXBPAOYOPE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Br)C(=O)OC5CCCCC5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)C(=O)OC1CCCCC1)C
cyclohexyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32BrNO4c11827(30(34)36246435724)28(2081222(31)13920)2925(3218)1621(1726(29)33)19101423(352)151119h81521242832H371617H212H3
MFCD01571933
STK015748
ZINC000002758155
ZINC000002758158
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