Vitas-M small molecule compound
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL435824
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)C)C2=C(C1c1cc(C)cc(c1C)Cn1ccc(n1)C(F)(F)F)C(=O)CCC2
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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 C30H27ClF3N5O MW 566.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClF3N5O/c1-16-11-19(15-38-10-9-26(37-38)30(32,33)34)18(3)21(12-16)27-22(14-35)29(36)39(20-8-7-17(2)23(31)13-20)24-5-4-6-25(40)28(24)27/h7-13,27H,4-6,15,36H2,1-3H3InChIKey
SRGQFYCBOQHXKS-UHFFFAOYSA-NSynonyms
2amino1(3chloro4methylphenyl)4(25dimethyl3((3(trifluoromethyl)1Hpyrazol1yl)methyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3chloro4methylphenyl)4(25dimethyl3((3(trifluoromethyl)pyrazol1yl)methyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)CN5C=CC(=N5)C(F)(F)F)C)C(=O)CCC3)Cl
InChI=1SC30H27ClF3N5Oc1161119(153810926(3738)30(3233)34)18(3)21(1216)2722(1435)29(36)39(208717(2)23(31)1320)2454625(40)28(24)27h71327H461536H213H3
MFCD06147600
ZINC000100250942
ZINC000100250943
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