Vitas-M small molecule compound

benzyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK050502
SMILES CCOc1ccc(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 C33H33NO5 MW 523.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33NO5/c1-4-38-28-16-15-24(19-29(28)37-3)31-30(33(36)39-20-22-11-7-5-8-12-22)21(2)34-26-17-25(18-27(35)32(26)31)23-13-9-6-10-14-23/h5-16,19,25,31,34H,4,17-18,20H2,1-3H3
InChIKey
KRTVRUGUIIJDLW-UHFFFAOYSA-N
Synonyms

benzyl4(4ethoxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
benzyl4(4ethoxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC5=CC=CC=C5)C)OC
CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCc1ccccc1
InChI=1SC33H33NO5c143828161524(1929(28)373)3130(33(36)392022117581222)21(2)34261725(1827(35)32(26)31)231396101423h51619253134H4171820H213H3
MFCD00771621
STK050502
ZINC000004065776
ZINC000004065782

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Available files

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