Vitas-M small molecule compound
(4E)-5-methyl-2-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK941596
SMILES CC1=NN(C(=O)/C/1=C/Nc1cccc(c1)C(F)(F)F)c1ccc2n(n1)c(C)nn2
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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 C18H14F3N7O MW 401.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N7O/c1-10-14(9-22-13-5-3-4-12(8-13)18(19,20)21)17(29)28(25-10)16-7-6-15-24-23-11(2)27(15)26-16/h3-9,22H,1-2H3/b14-9+InChIKey
OWCMEJZQWQYFKO-NTEUORMPSA-NSynonyms
(4E)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)4(((3(trifluoromethyl)phenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)4((3(trifluoromethyl)anilino)methylidene)pyrazol3one
(E)3methyl1(3methyl(124)triazolo(43b)pyridazin6yl)4(((3(trifluoromethyl)phenyl)amino)methylene)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNc1cccc(c1)C(F)(F)F)c1ccc2n(n1)c(C)nn2
CC1=NN(C(=O)C1=CNC2=CC=CC(=C2)C(F)(F)F)C3=NN4C(=NN=C4C=C3)C
InChI=1SC18H14F3N7Oc11014(9221353412(813)18(1920)21)17(29)28(2510)167615242311(2)27(15)2616h3922H12H3b149+
MFCD13758387
ZINC000036358982
ZINC36358982
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