Vitas-M small molecule compound
ethyl 2-amino-5-oxo-4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756532
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)c1cccc(c1)C(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 C23H21F3N2O3S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21F3N2O3S/c1-2-31-22(30)20-18(13-9-10-32-12-13)19-16(7-4-8-17(19)29)28(21(20)27)15-6-3-5-14(11-15)23(24,25)26/h3,5-6,9-12,18H,2,4,7-8,27H2,1H3InChIKey
BTUMBJIQOVTNST-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CSC=C3)C(=O)CCC2)C4=CC=CC(=C4)C(F)(F)F)N
ethyl2amino5oxo4(thiophen3yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ethyl2amino5oxo4thiophen3yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC23H21F3N2O3Sc123122(30)2018(13910321213)1916(74817(19)29)28(21(20)27)1563514(1115)23(2425)26h35691218H247827H21H3
MFCD01240346
ZINC000000714174
ZINC000000714175
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