Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK758382
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F)C#N
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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 C27H26F3N3O2 MW 481.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3N3O2/c1-4-35-17-11-9-16(10-12-17)23-18(15-31)25(32)33(20-8-6-5-7-19(20)27(28,29)30)21-13-26(2,3)14-22(34)24(21)23/h5-12,23H,4,13-14,32H2,1-3H3InChIKey
RQFAFFOOCQLIIL-UHFFFAOYSA-NSynonyms
312496-74-52amino4(4ethoxyphenyl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHOXYPHENYL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
312496745
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C(F)(F)F)N)C#N
InChI=1SC27H26F3N3O2c14351711916(101217)2318(1531)25(32)33(20865719(20)27(2829)30)211326(23)1422(34)24(21)23h51223H4131432H213H3
MFCD02109990
ZINC000003666596
ZINC000012411739
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