Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756337
SMILES N#CC1=C(N)N(C2=C(C1c1cccs1)C(=O)CC(C2)(C)C)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 C23H20F3N3OS MW 443.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3OS/c1-22(2)10-16-20(17(30)11-22)19(18-7-4-8-31-18)15(12-27)21(28)29(16)14-6-3-5-13(9-14)23(24,25)26/h3-9,19H,10-11,28H2,1-2H3InChIKey
GLKQJNUAPGNSHR-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo4(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO4THIOPHEN2YL1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=CS4)C(=O)C1)C
InChI=1SC23H20F3N3OSc122(2)101620(17(30)1122)19(187483118)15(1227)21(28)29(16)1463513(914)23(2425)26h3919H101128H212H3
MFCD01239432
ZINC000001436506
ZINC000001436507
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