Vitas-M small molecule compound
benzyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363634
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)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 C33H33NO6 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO6/c1-4-39-29-18-23(12-15-27(29)35)31-30(33(37)40-19-21-8-6-5-7-9-21)20(2)34-26-16-24(17-28(36)32(26)31)22-10-13-25(38-3)14-11-22/h5-15,18,24,31,34-35H,4,16-17,19H2,1-3H3InChIKey
HXALGTPNFRXQHM-UHFFFAOYSA-NSynonyms
benzyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCC5=CC=CC=C5)C)O
InChI=1SC33H33NO6c1439291823(121527(29)35)3130(33(37)4019218657921)20(2)34261624(1728(36)32(26)31)22101325(383)141122h5151824313435H4161719H213H3
MFCD01446384
ZINC000000848096
ZINC000000848099
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