Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756170
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)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 C24H18F3N3O3 MW 453.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18F3N3O3/c25-24(26,27)15-4-1-2-5-16(15)30-17-6-3-7-18(31)22(17)21(14(11-28)23(30)29)13-8-9-19-20(10-13)33-12-32-19/h1-2,4-5,8-10,21H,3,6-7,12,29H2InChIKey
KBTPEWWOTLYDCN-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC24H18F3N3O3c2524(2627)15412516(15)301763718(31)22(17)21(14(1128)23(30)29)13891920(1013)33123219h124581021H3671229H2
MFCD01304829
ZINC000001436475
ZINC000001436476
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