Vitas-M small molecule compound
(4E)-2-(2,4-dimethylphenyl)-4-{[(2,6-dimethylphenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295575
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2c(C)cccc2C)/C1=O)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 C21H23N3O MW 333.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O/c1-13-9-10-19(16(4)11-13)24-21(25)18(17(5)23-24)12-22-20-14(2)7-6-8-15(20)3/h6-12,22H,1-5H3/b18-12+InChIKey
TXBQTSOTGVFLIT-LDADJPATSA-NSynonyms
(4E)2(24dimethylphenyl)4(((26dimethylphenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)4((26DIMETHYLANILINO)METHYLIDENE)2(24DIMETHYLPHENYL)5METHYLPYRAZOL3ONE
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C=CC=C3C)C)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2c(C)cccc2C)C1=O)C
InChI=1SC21H23N3Oc11391019(16(4)1113)2421(25)18(17(5)2324)12222014(2)76815(20)3h61222H15H3b1812+
MFCD00605837
ZINC000006556657
ZINC06556657
ZINC6556657
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