Vitas-M small molecule compound

propyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK036576
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)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 C21H22F3NO3 MW 393.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO3/c1-3-11-28-20(27)17-12(2)25-15-9-6-10-16(26)19(15)18(17)13-7-4-5-8-14(13)21(22,23)24/h4-5,7-8,18,25H,3,6,9-11H2,1-2H3
InChIKey
QFJGNRKPVXFJLV-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1C(F)(F)F)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CCC2)C
InChI=1SC21H22F3NO3c13112820(27)1712(2)2515961016(26)19(15)18(17)13745814(13)21(2223)24h45781825H36911H212H3
MFCD00753315
propyl2methyl5oxo4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
propyl2methyl5oxo4(2(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
STK036576
ZINC000002055415
ZINC000002055416

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Available files

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