Vitas-M small molecule compound
(4E)-4-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK930301
SMILES CC1=NN(C(=O)/C/1=C/Nc1cc(ccc1Cl)C(F)(F)F)c1ccc2n(n1)cnn2
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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 C17H11ClF3N7O MW 421.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClF3N7O/c1-9-11(7-22-13-6-10(17(19,20)21)2-3-12(13)18)16(29)28(25-9)15-5-4-14-24-23-8-27(14)26-15/h2-8,22H,1H3/b11-7+InChIKey
HAVOHAJSBAJCQD-YRNVUSSQSA-NSynonyms
(4E)4(((2chloro5(trifluoromethyl)phenyl)amino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((2chloro5(trifluoromethyl)anilino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)1((124)triazolo(43b)pyridazin6yl)4(((2chloro5(trifluoromethyl)phenyl)amino)methylene)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1cc(ccc1Cl)C(F)(F)F)c1ccc2n(n1)cnn2
CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NN4C=NN=C4C=C3
InChI=1SC17H11ClF3N7Oc1911(72213610(17(1920)21)2312(13)18)16(29)28(259)1554142423827(14)2615h2822H1H3b117+
MFCD13756959
ZINC000101641015
ZINC101641015
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