Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK335808
SMILES COc1cc(OC)cc(c1)c1nnc(n1c1ccc2c(c1)OCO2)S
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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-21-12-5-10(6-13(8-12)22-2)16-18-19-17(25)20(16)11-3-4-14-15(7-11)24-9-23-14/h3-8H,9H2,1-2H3,(H,19,25)InChIKey
BNXKFWYHLVUHFM-UHFFFAOYSA-NSynonyms
728035-13-04(13BENZODIOXOL5YL)3(35DIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(35dimethoxyphenyl)4H124triazole3thiol
4(benzo(d)(13)dioxol5yl)5(35dimethoxyphenyl)4H124triazole3thiol
4BENZO(13)DIOXOL5YL5(35DIMETHOXYPHENYL)4H(124)TRIAZOLE3THIOL
COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC
InChI=1SC17H15N3O4Sc12112510(613(812)222)16181917(25)20(16)11341415(711)2492314h38H9H212H3(H1925)
MFCD06017164
ZINC5894375
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