Vitas-M small molecule compound

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

Catalog ID
STK086046
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C

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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 C27H27Cl2NO3 MW 484.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO3/c1-15(2)14-33-27(32)24-16(3)30-22-12-19(17-4-8-20(28)9-5-17)13-23(31)26(22)25(24)18-6-10-21(29)11-7-18/h4-11,15,19,25,30H,12-14H2,1-3H3
InChIKey
SJOPIKKFEZBHNY-UHFFFAOYSA-N
Synonyms

2methylpropyl47bis(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl47bis(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OCC(C)C
InChI=1SC27H27Cl2NO3c115(2)143327(32)2416(3)30221219(174820(28)9517)1323(31)26(22)25(24)1861021(29)11718h41115192530H1214H213H3
MFCD01445722
STK086046
ZINC000002926158
ZINC000002926168

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Available files

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