Vitas-M small molecule compound
benzyl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK008927
SMILES CCOc1ccc(cc1)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 C32H31NO4 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO4/c1-3-36-26-16-14-24(15-17-26)30-29(32(35)37-20-22-10-6-4-7-11-22)21(2)33-27-18-25(19-28(34)31(27)30)23-12-8-5-9-13-23/h4-17,25,30,33H,3,18-20H2,1-2H3InChIKey
SPDHKXRCDRLSDH-UHFFFAOYSA-NSynonyms
benzyl4(4ethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(4ethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC5=CC=CC=C5)C
CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCc1ccccc1
InChI=1SC32H31NO4c133626161424(151726)3029(32(35)372022106471122)21(2)33271825(1928(34)31(27)30)23128591323h417253033H31820H212H3
MFCD00771609
STK008927
ZINC000000848114
ZINC000004065748
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