Vitas-M small molecule compound
(4E)-4-{[(3-chlorophenyl)amino]methylidene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK933658
SMILES Clc1cccc(c1)N/C=C/1\C(=NN(C1=O)c1ccc2n(n1)cnn2)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 C16H12ClN7O MW 353.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN7O/c1-10-13(8-18-12-4-2-3-11(17)7-12)16(25)24(21-10)15-6-5-14-20-19-9-23(14)22-15/h2-9,18H,1H3/b13-8+InChIKey
FCIMFQITIYUCLP-MDWZMJQESA-NSynonyms
(4E)4(((3chlorophenyl)amino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((3chloroanilino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)1((124)triazolo(43b)pyridazin6yl)4(((3chlorophenyl)amino)methylene)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=CC(=CC=C2)Cl)C3=NN4C=NN=C4C=C3
Clc1cccc(c1)NC=C1C(=NN(C1=O)c1ccc2n(n1)cnn2)C
InChI=1SC16H12ClN7Oc11013(8181242311(17)712)16(25)24(2110)1565142019923(14)2215h2918H1H3b138+
MFCD13757587
ZINC000101642908
ZINC101642908
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