Vitas-M small molecule compound
benzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372439
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2)OCc1ccccc1
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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 C25H22BrNO5 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrNO5/c1-14-22(25(29)30-12-15-6-3-2-4-7-15)23(24-18(27-14)8-5-9-19(24)28)16-10-20-21(11-17(16)26)32-13-31-20/h2-4,6-7,10-11,23,27H,5,8-9,12-13H2,1H3InChIKey
KKUYTYAYAYENLY-UHFFFAOYSA-NSynonyms
benzyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC5=CC=CC=C5
InChI=1SC25H22BrNO5c11422(25(29)3012156324715)23(2418(2714)85919(24)28)16102021(1117(16)26)32133120h246710112327H5891213H21H3
MFCD00771219
ZINC000003098482
ZINC000003098483
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