Vitas-M small molecule compound
ethyl 2-amino-5-oxo-4-phenyl-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756953
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1ccccc1)C(=O)CCC2)c1ccccc1C(F)(F)F
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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 C25H23F3N2O3 MW 456.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F3N2O3/c1-2-33-24(32)22-20(15-9-4-3-5-10-15)21-18(13-8-14-19(21)31)30(23(22)29)17-12-7-6-11-16(17)25(26,27)28/h3-7,9-12,20H,2,8,13-14,29H2,1H3InChIKey
XBIAHJGVHKBAMH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)CCC2)C4=CC=CC=C4C(F)(F)F)N
ethyl2amino5oxo4phenyl1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ethyl2amino5oxo4phenyl1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC25H23F3N2O3c123324(32)2220(1594351015)2118(1381419(21)31)30(23(22)29)1712761116(17)25(2627)28h3791220H28131429H21H3
MFCD01239695
ZINC000001022901
ZINC000001022902
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