Vitas-M small molecule compound
benzyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084965
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)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 C31H29NO5 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO5/c1-19-28(31(35)37-18-20-9-5-3-6-10-20)29(22-13-14-25(33)27(17-22)36-2)30-24(32-19)15-23(16-26(30)34)21-11-7-4-8-12-21/h3-14,17,23,29,32-33H,15-16,18H2,1-2H3InChIKey
DNUFETBHRMAFEB-UHFFFAOYSA-NSynonyms
benzyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OCC5=CC=CC=C5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCc1ccccc1
InChI=1SC31H29NO5c11928(31(35)37182095361020)29(22131425(33)27(1722)362)3024(3219)1523(1626(30)34)21117481221h3141723293233H151618H212H3
MFCD00771611
STK084965
ZINC000019881107
ZINC000019881118
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