Vitas-M small molecule compound
benzyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372463
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1)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 C31H27NO5 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO5/c1-19-28(31(34)35-17-20-8-4-2-5-9-20)29(22-12-13-26-27(16-22)37-18-36-26)30-24(32-19)14-23(15-25(30)33)21-10-6-3-7-11-21/h2-13,16,23,29,32H,14-15,17-18H2,1H3InChIKey
ATXFRLZYZPMDET-UHFFFAOYSA-NSynonyms
benzyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCC6=CC=CC=C6
InChI=1SC31H27NO5c11928(31(34)3517208425920)29(2212132627(1622)37183626)3024(3219)1423(1525(30)33)21106371121h21316232932H14151718H21H3
MFCD00771601
ZINC000019867123
ZINC000019867133
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