Vitas-M small molecule compound
(4Z)-2-(3,4-dimethylphenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-5-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359531
SMILES Cc1nc2c([nH]1)ccc(c2)N/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)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 C21H21N5O MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O/c1-12-5-7-17(9-13(12)2)26-21(27)18(14(3)25-26)11-22-16-6-8-19-20(10-16)24-15(4)23-19/h5-11,22H,1-4H3,(H,23,24)/b18-11-InChIKey
YKFQAACXEATAEV-WQRHYEAKSA-NSynonyms
(4Z)2(34dimethylphenyl)5methyl4(((2methyl1Hbenzimidazol5yl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)2(34DIMETHYLPHENYL)5METHYL4(((2METHYL3HBENZIMIDAZOL5YL)AMINO)METHYLIDENE)PYRAZOL3ONE
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC4=C(C=C3)N=C(N4)C)C(=N2)C)C
Cc1nc2c((nH)1)ccc(c2)NC=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C
InChI=1SC21H21N5Oc1125717(913(12)2)2621(27)18(14(3)2526)112216681920(1016)2415(4)2319h51122H14H3(H2324)b1811
MFCD28033740
ZINC000005446345
ZINC05446345
ZINC5446345
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