Vitas-M small molecule compound
5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK946050
SMILES CC(n1c(S)nnc1C1COc2c(O1)cccc2)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)16-12(14-15-13(16)19)11-7-17-9-5-3-4-6-10(9)18-11/h3-6,8,11H,7H2,1-2H3,(H,15,19)InChIKey
SIQKKDQAEGQTGG-UHFFFAOYSA-NSynonyms
942864-82-63(23dihydro14benzodioxin3yl)4propan2yl1H124triazole5thione
5(23dihydro14benzodioxin2yl)4(propan2yl)4H124triazole3thiol
5(23dihydrobenzo(b)(14)dioxin2yl)4isopropyl4H124triazole3thiol
942864826
CC(C)N1C(=NNC1=S)C2COC3=CC=CC=C3O2
InChI=1SC13H15N3O2Sc18(2)1612(141513(16)19)117179534610(9)1811h36811H7H212H3(H1519)
MFCD09983412
ZINC000011692594
ZINC000011692595
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