Vitas-M small molecule compound
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756957
SMILES CSc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1cccc(c1)C(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 C24H20F3N3OS MW 455.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20F3N3OS/c1-32-17-10-8-14(9-11-17)21-18(13-28)23(29)30(19-6-3-7-20(31)22(19)21)16-5-2-4-15(12-16)24(25,26)27/h2,4-5,8-12,21H,3,6-7,29H2,1H3InChIKey
DDQDOZIRAIJXCM-UHFFFAOYSA-NSynonyms
2amino4(4(methylsulfanyl)phenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(4methylsulfanylphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
CSC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC(=C4)C(F)(F)F)N)C#N
InChI=1SC24H20F3N3OSc1321710814(91117)2118(1328)23(29)30(1963720(31)22(19)21)1652415(1216)24(2526)27h24581221H36729H21H3
MFCD01239715
ZINC000000706068
ZINC000000706069
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