Vitas-M small molecule compound
(4E)-4-[(benzylamino)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295052
SMILES CC1=NN(C(=O)/C/1=C/NCc1ccccc1)c1ccc(c(c1)C)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 C20H21N3O MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O/c1-14-9-10-18(11-15(14)2)23-20(24)19(16(3)22-23)13-21-12-17-7-5-4-6-8-17/h4-11,13,21H,12H2,1-3H3/b19-13+InChIKey
QWQLHPCGQRXSJM-CPNJWEJPSA-NSynonyms
(4E)4((benzylamino)methylidene)2(34dimethylphenyl)5methyl24dihydro3Hpyrazol3one
(4E)4((benzylamino)methylidene)2(34dimethylphenyl)5methylpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CNCC3=CC=CC=C3)C(=N2)C)C
CC1=NN(C(=O)C1=CNCc1ccccc1)c1ccc(c(c1)C)C
InChI=1SC20H21N3Oc11491018(1115(14)2)2320(24)19(16(3)2223)132112177546817h4111321H12H213H3b1913+
MFCD28032870
ZINC000005730604
ZINC05730604
ZINC5730604
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