Vitas-M small molecule compound
2-amino-4-(4-bromophenyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756167
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CCC2)c1ccccc1C(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 C23H17BrF3N3O MW 488.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrF3N3O/c24-14-10-8-13(9-11-14)20-15(12-28)22(29)30(18-6-3-7-19(31)21(18)20)17-5-2-1-4-16(17)23(25,26)27/h1-2,4-5,8-11,20H,3,6-7,29H2InChIKey
UNTZIHXEQUQHOG-UHFFFAOYSA-NSynonyms
2amino4(4bromophenyl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4bromophenyl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1
InChI=1SC23H17BrF3N3Oc241410813(91114)2015(1228)22(29)30(1863719(31)21(18)20)17521416(17)23(2526)27h124581120H36729H2
MFCD01239436
ZINC000000705635
ZINC000000705636
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