Vitas-M small molecule compound

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

Catalog ID
STK363659
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)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 C26H25Cl2NO3 MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25Cl2NO3/c1-3-12-32-26(31)23-15(2)29-21-13-18(16-4-8-19(27)9-5-16)14-22(30)25(21)24(23)17-6-10-20(28)11-7-17/h4-11,18,24,29H,3,12-14H2,1-2H3
InChIKey
HRNIPXWAAHLMOL-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Cl)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC26H25Cl2NO3c13123226(31)2315(2)29211318(164819(27)9516)1422(30)25(21)24(23)1761020(28)11717h411182429H31214H212H3
MFCD01527930
propyl47bis(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl47bis(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002774588
ZINC000002774591

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Available files

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