Vitas-M small molecule compound
benzyl 4-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK057130
SMILES CCc1ccc(cc1)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 C33H33NO4 MW 507.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO4/c1-4-22-10-12-25(13-11-22)31-30(33(36)38-20-23-8-6-5-7-9-23)21(2)34-28-18-26(19-29(35)32(28)31)24-14-16-27(37-3)17-15-24/h5-17,26,31,34H,4,18-20H2,1-3H3InChIKey
CDZCRGUQECWICD-UHFFFAOYSA-NSynonyms
5707-74-41HBENZ(E)INDEN8OL23DIHYDRO9METHYL
5707744
benzyl4(4ethylphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4ethylphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCC5=CC=CC=C5)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OCc1ccccc1
InChI=1SC33H33NO4c1422101225(131122)3130(33(36)3820238657923)21(2)34281826(1929(35)32(28)31)24141627(373)171524h517263134H41820H213H3
MFCD01590174
STK057130
ZINC000004112004
ZINC000004112009
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