Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755187
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)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)9-17-20(18(30)10-22)19(13-6-7-31-12-13)16(11-27)21(28)29(17)15-5-3-4-14(8-15)23(24,25)26/h3-8,12,19H,9-10,28H2,1-2H3InChIKey
LVUIQRZPQIMGDE-UHFFFAOYSA-NSynonyms
311328-71-92amino77dimethyl5oxo4(thiophen3yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO4THIOPHEN3YL1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
311328719
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CSC=C4)C(=O)C1)C
InChI=1SC23H20F3N3OSc122(2)91720(18(30)1022)19(1367311213)16(1127)21(28)29(17)1553414(815)23(2425)26h381219H91028H212H3
MFCD00827458
ZINC000000713526
ZINC000000713528
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