Vitas-M small molecule compound
(4E)-4-{[(4-methoxyphenyl)amino]methylidene}-5-methyl-2-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK935071
SMILES COc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccc2n(n1)c(C)nn2)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 C18H17N7O2 MW 363.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O2/c1-11-15(10-19-13-4-6-14(27-3)7-5-13)18(26)25(22-11)17-9-8-16-21-20-12(2)24(16)23-17/h4-10,19H,1-3H3/b15-10+InChIKey
SMQJYMFTCDPONP-XNTDXEJSSA-NSynonyms
(4E)4(((4methoxyphenyl)amino)methylidene)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((4methoxyanilino)methylidene)5methyl2(3methyl(124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)4(((4methoxyphenyl)amino)methylene)3methyl1(3methyl(124)triazolo(43b)pyridazin6yl)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)OC)C3=NN4C(=NN=C4C=C3)C
COc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccc2n(n1)c(C)nn2)C
InChI=1SC18H17N7O2c11115(1019134614(273)7513)18(26)25(2211)179816212012(2)24(16)2317h41019H13H3b1510+
MFCD13757423
ZINC000036357793
ZINC36357793
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