Vitas-M small molecule compound
(4E)-5-methyl-4-[(phenylamino)methylidene]-2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK943631
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccccc1)c1ccc2n(n1)c(nn2)C(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 C17H12F3N7O MW 387.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N7O/c1-10-12(9-21-11-5-3-2-4-6-11)15(28)26(24-10)14-8-7-13-22-23-16(17(18,19)20)27(13)25-14/h2-9,21H,1H3/b12-9+InChIKey
KOKOSFYJHPKAFQ-FMIVXFBMSA-NSynonyms
(4E)4(anilinomethylidene)5methyl2(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)pyrazol3one
(4E)5methyl4((phenylamino)methylidene)2(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(E)3methyl4((phenylamino)methylene)1(3(trifluoromethyl)(124)triazolo(43b)pyridazin6yl)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1ccccc1)c1ccc2n(n1)c(nn2)C(F)(F)F
CC1=NN(C(=O)C1=CNC2=CC=CC=C2)C3=NN4C(=NN=C4C(F)(F)F)C=C3
InChI=1SC17H12F3N7Oc11012(921115324611)15(28)26(2410)148713222316(17(1819)20)27(13)2514h2921H1H3b129+
MFCD13761177
ZINC000101654846
ZINC101654846
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