Vitas-M small molecule compound
benzyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090328
SMILES COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1)Br
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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 C25H24BrNO4 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO4/c1-15-22(25(29)31-14-16-7-4-3-5-8-16)23(18-13-17(26)11-12-21(18)30-2)24-19(27-15)9-6-10-20(24)28/h3-5,7-8,11-13,23,27H,6,9-10,14H2,1-2H3InChIKey
VJZRJTWLMWDWEL-UHFFFAOYSA-NSynonyms
benzyl4(5bromo2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(5bromo2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)OC)C(=O)OCC4=CC=CC=C4
COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1)Br
InChI=1SC25H24BrNO4c11522(25(29)3114167435816)23(181317(26)111221(18)302)2419(2715)961020(24)28h357811132327H691014H212H3
MFCD02104520
STK090328
ZINC000000883298
ZINC000000883301
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