Vitas-M small molecule compound
propan-2-yl 4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK094484
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)C(=O)OC(C)C)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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-15(2)35-28(32)25-16(3)30-21-12-19(18-8-11-23(33-4)24(14-18)34-5)13-22(31)27(21)26(25)17-6-9-20(29)10-7-17/h6-11,14-15,19,26,30H,12-13H2,1-5H3InChIKey
OZZQPRXAVRMNEY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)Br)C(=O)OC(C)C
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Br)C(=O)OC(C)C)C
InChI=1SC28H30BrNO5c115(2)3528(32)2516(3)30211219(1881123(334)24(1418)345)1322(31)27(21)26(25)176920(29)10717h6111415192630H1213H215H3
MFCD02224284
propan2yl4(4bromophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4bromophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK094484
ZINC000000647965
ZINC000000647972
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