Vitas-M small molecule compound
benzyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077337
SMILES COc1ccc(cc1OC)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 C32H31NO5 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO5/c1-20-29(32(35)38-19-21-10-6-4-7-11-21)30(23-14-15-27(36-2)28(18-23)37-3)31-25(33-20)16-24(17-26(31)34)22-12-8-5-9-13-22/h4-15,18,24,30,33H,16-17,19H2,1-3H3InChIKey
CIMUJSITVYCXNO-UHFFFAOYSA-NSynonyms
benzyl4(34dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(34dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCc1ccccc1
InChI=1SC32H31NO5c12029(32(35)381921106471121)30(23141527(362)28(1823)373)3125(3320)1624(1726(31)34)22128591322h41518243033H161719H213H3
MFCD00771600
STK077337
ZINC000019806069
ZINC000019806074
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