Vitas-M small molecule compound
(4E)-4-{[(4-hydroxyphenyl)amino]methylidene}-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295839
SMILES Oc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)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 C17H12Cl3N3O2 MW 396.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12Cl3N3O2/c1-9-13(8-21-11-2-4-12(24)5-3-11)17(25)23(22-9)16-14(19)6-10(18)7-15(16)20/h2-8,21,24H,1H3/b13-8+InChIKey
JIHFHAJXMSQRNR-MDWZMJQESA-NSynonyms
(4E)4(((4hydroxyphenyl)amino)methylidene)5methyl2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4E)4((4hydroxyanilino)methylidene)5methyl2(246trichlorophenyl)pyrazol3one
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)O)C3=C(C=C(C=C3Cl)Cl)Cl
InChI=1SC17H12Cl3N3O2c1913(821112412(24)5311)17(25)23(229)1614(19)610(18)715(16)20h282124H1H3b138+
MFCD28033179
Oc1ccc(cc1)NC=C1C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C
ZINC000100148969
ZINC100148969
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