Vitas-M small molecule compound
2-amino-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673217
SMILES N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(s1)C(C)(C)C)C(=O)CC(C2)(C)C
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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 C27H28F3N3OS MW 499.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F3N3OS/c1-25(2,3)21-10-9-20(35-21)22-17(14-31)24(32)33(16-8-6-7-15(11-16)27(28,29)30)18-12-26(4,5)13-19(34)23(18)22/h6-11,22H,12-13,32H2,1-5H3InChIKey
QXBZDYZLYYOYIS-UHFFFAOYSA-NSynonyms
2amino4(5tertbutylthiophen2yl)77dimethyl5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO4(5TERTBUTYLTHIOPHEN2YL)77DIMETHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC27H28F3N3OSc125(23)2110920(3521)2217(1431)24(32)33(1686715(1116)27(2829)30)181226(45)1319(34)23(18)22h61122H121332H215H3
MFCD01113489
ZINC000003663341
ZINC000003663342
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