Vitas-M small molecule compound
2-phenylethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK377088
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
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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 C33H33NO5 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO5/c1-3-38-29-20-24(14-15-27(29)35)31-30(33(37)39-17-16-22-10-6-4-7-11-22)21(2)34-26-18-25(19-28(36)32(26)31)23-12-8-5-9-13-23/h4-15,20,25,31,34-35H,3,16-19H2,1-2H3InChIKey
GQAOCDIPWHYEFI-UHFFFAOYSA-NSynonyms
2phenylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCC5=CC=CC=C5)C)O
InChI=1SC33H33NO5c1338292024(141527(29)35)3130(33(37)39171622106471122)21(2)34261825(1928(36)32(26)31)23128591323h4152025313435H31619H212H3
MFCD01445582
ZINC000004067541
ZINC000004067544
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