Vitas-M small molecule compound
ethyl 4-(2-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK088596
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccc(c(c1)OC)OC
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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 C27H28BrNO5 MW 526.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO5/c1-5-34-27(31)24-15(2)29-20-12-17(16-10-11-22(32-3)23(14-16)33-4)13-21(30)26(20)25(24)18-8-6-7-9-19(18)28/h6-11,14,17,25,29H,5,12-13H2,1-4H3InChIKey
YIKWXTHYJLLVHX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Br)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
ethyl4(2bromophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(2bromophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28BrNO5c153427(31)2415(2)29201217(16101122(323)23(1416)334)1321(30)26(20)25(24)18867919(18)28h61114172529H51213H214H3
MFCD02224192
STK088596
ZINC000000678870
ZINC000000678884
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