Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK449862
SMILES Cc1ccc(c(c1)n1c(S)nnc1c1ccc2c(c1)OCO2)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 C17H15N3O2S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O2S/c1-10-3-4-11(2)13(7-10)20-16(18-19-17(20)23)12-5-6-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H,19,23)InChIKey
UUUBHSDLUIDMLH-UHFFFAOYSA-NSynonyms
3(13BENZODIOXOL5YL)4(25DIMETHYLPHENYL)1H124TRIAZOLE5THIONE
5(13benzodioxol5yl)4(25dimethylphenyl)4H124triazole3thiol
5(2HBENZO(34D)13DIOXOLEN5YL)4(25DIMETHYLPHENYL)124TRIAZOLE3THIOL
CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4
InChI=1SC17H15N3O2Sc1103411(2)13(710)2016(181917(20)23)12561415(812)2292114h38H9H212H3(H1923)
MFCD03467727
ZINC000006533785
ZINC06533785
ZINC6533785
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