Vitas-M small molecule compound
4-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Catalog ID
STK569163
SMILES OC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)c1cc([nH]n1)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 C14H12N6O2S MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N6O2S/c1-8-6-11(17-16-8)12-18-19-14(23)20(12)15-7-9-2-4-10(5-3-9)13(21)22/h2-7H,1H3,(H,16,17)(H,19,23)(H,21,22)/b15-7+InChIKey
WTIJCPZYMGONNJ-VIZOYTHASA-NSynonyms
1037569-33-71037569337
4((1E)2(5(3METHYLPYRAZOL5YL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
4((E)((3(5methyl1Hpyrazol3yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
4((E)(3(5METHYL1HPYRAZOL3YL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)O
InChI=1SC14H12N6O2Sc18611(17168)12181914(23)20(12)15792410(539)13(21)22h27H1H3(H1617)(H1923)(H2122)b157+
MFCD05730659
OC(=O)c1ccc(cc1)C=Nn1c(n(nH)c1=S)c1cc((nH)n1)C
ZINC000005460219
ZINC33331234
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