Vitas-M small molecule compound

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

Catalog ID
STK095579
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)C(=O)CCC2

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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 C20H22ClNO3 MW 359.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO3/c1-3-10-25-20(24)17-12(2)22-15-8-5-9-16(23)19(15)18(17)13-6-4-7-14(21)11-13/h4,6-7,11,18,22H,3,5,8-10H2,1-2H3
InChIKey
GGWCMBDACIBDRN-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CCC2)C
InChI=1SC20H22ClNO3c13102520(24)1712(2)221585916(23)19(15)18(17)1364714(21)1113h467111822H35810H212H3
MFCD00753006
propyl4(3chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK095579
ZINC000002055141
ZINC000002055142

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Available files

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