Vitas-M small molecule compound
5-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4H-1,2,4-triazole-3-carboxylic acid
Catalog ID
STL295698
SMILES CC1=NN(C(=O)/C/1=C/Nc1nnc([nH]1)C(=O)O)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 C16H16N6O3 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O3/c1-8-4-5-11(6-9(8)2)22-14(23)12(10(3)21-22)7-17-16-18-13(15(24)25)19-20-16/h4-7H,1-3H3,(H,24,25)(H2,17,18,19,20)/b12-7+InChIKey
QXXXDTGNIPDJIF-KPKJPENVSA-NSynonyms
3(((E)(1(34dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)1H124triazole5carboxylicacid
5(((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4H124triazole3carboxylicacid
CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=NNC(=N3)C(=O)O)C(=N2)C)C
CC1=NN(C(=O)C1=CNc1nnc((nH)1)C(=O)O)c1ccc(c(c1)C)C
InChI=1SC16H16N6O3c184511(69(8)2)2214(23)12(10(3)2122)717161813(15(24)25)192016h47H13H3(H2425)(H217181920)b127+
MFCD28033086
ZINC000095471076
ZINC95471076
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