Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK401146
SMILES CC(Cn1c(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 C13H15N3O2S MW 277.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S/c1-8(2)6-16-12(14-15-13(16)19)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,6-7H2,1-2H3,(H,15,19)InChIKey
ZIBQYOJEMQNTJB-UHFFFAOYSA-NSynonyms
3(13BENZODIOXOL5YL)4(2METHYLPROPYL)1H124TRIAZOLE5THIONE
5(13benzodioxol5yl)4(2methylpropyl)4H124triazole3thiol
5(13BENZODIOXOL5YL)4ISOBUTYL4H124TRIAZOL3YLHYDROSULFIDE
5(2HBENZO(34D)13DIOXOLEN5YL)4(2METHYLPROPYL)124TRIAZOLE3THIOL
CC(C)CN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3
InChI=1SC13H15N3O2Sc18(2)61612(141513(16)19)9341011(59)1871710h358H67H212H3(H1519)
MFCD03468503
ZINC000006493092
ZINC06493092
ZINC6493092
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