Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Catalog ID
STL314303
SMILES CSCCC(C(=O)N1CCn2c(C1)nnc2C(F)(F)F)Nc1nc(C)cc(n1)C
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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 C17H22F3N7OS MW 429.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3N7OS/c1-10-8-11(2)22-16(21-10)23-12(4-7-29-3)14(28)26-5-6-27-13(9-26)24-25-15(27)17(18,19)20/h8,12H,4-7,9H2,1-3H3,(H,21,22,23)InChIKey
FVNACRJJLOPDPT-UHFFFAOYSA-NSynonyms
1435899-59-41435899594
2((46dimethylpyrimidin2yl)amino)4(methylsulfanyl)1(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)butan1one
2((46dimethylpyrimidin2yl)amino)4(methylthio)1(3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)butan1one
2((46dimethylpyrimidin2yl)amino)4methylsulfanyl1(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazin7yl)butan1one
CC1=CC(=NC(=N1)NC(CCSC)C(=O)N2CCN3C(=NN=C3C(F)(F)F)C2)C
InChI=1SC17H22F3N7OSc110811(2)2216(2110)2312(47293)14(28)26562713(926)242515(27)17(1819)20h812H479H213H3(H212223)
MFCD23138611
ZINC000095476212
ZINC000095476213
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