Vitas-M small molecule compound

methyl 7-(4-chlorophenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK033293
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C25H24ClNO3 MW 421.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO3/c1-14-4-6-17(7-5-14)23-22(25(29)30-3)15(2)27-20-12-18(13-21(28)24(20)23)16-8-10-19(26)11-9-16/h4-11,18,23,27H,12-13H2,1-3H3
InChIKey
DVAUSABCBDAXGF-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC)C
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC25H24ClNO3c1144617(7514)2322(25(29)303)15(2)27201218(1321(28)24(20)23)1681019(26)11916h411182327H1213H213H3
methyl7(4chlorophenyl)2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4chlorophenyl)2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445559
STK033293
ZINC000004309705
ZINC000004309708

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.