Vitas-M small molecule compound
7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK780605
SMILES N#CC1=C(n2cccc2)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 C27H22F3N3OS MW 493.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N3OS/c1-26(2)14-20-24(21(34)15-26)23(22-9-6-12-35-22)19(16-31)25(32-10-3-4-11-32)33(20)18-8-5-7-17(13-18)27(28,29)30/h3-13,23H,14-15H2,1-2H3InChIKey
GFIMFNAICQJJJQ-UHFFFAOYSA-NSynonyms
77dimethyl5oxo2(1Hpyrrol1yl)4(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
77DIMETHYL5OXO2PYRROL1YL4THIOPHEN2YL1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC27H22F3N3OSc126(2)142024(21(34)1526)23(2296123522)19(1631)25(3210341132)33(20)1885717(1318)27(2829)30h31323H1415H212H3
MFCD06013382
ZINC000001431798
ZINC000001431799
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