Vitas-M small molecule compound

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

Catalog ID
STK371835
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CCC2)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 C20H22ClNO3 MW 359.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO3/c1-11(2)25-20(24)17-12(3)22-15-5-4-6-16(23)19(15)18(17)13-7-9-14(21)10-8-13/h7-11,18,22H,4-6H2,1-3H3
InChIKey
DFJBXQKPPLKTCZ-UHFFFAOYSA-N
Synonyms
299407-80-0
299407800
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Cl)C(=O)OC(C)C
InChI=1SC20H22ClNO3c111(2)2520(24)1712(3)221554616(23)19(15)18(17)137914(21)10813h7111822H46H213H3
MFCD00619511
propan2yl4(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000013285565
ZINC000013285566

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Available files

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