Vitas-M small molecule compound
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367675
SMILES CCn1c(S)nnc1c1ccc2c(c1)OCCCO2
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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/c1-2-16-12(14-15-13(16)19)9-4-5-10-11(8-9)18-7-3-6-17-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,19)InChIKey
IOMXSBDHRCZRCB-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)4ethyl1H124triazole5thione
5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazole3thiol
CCN1C(=NNC1=S)C2=CC3=C(C=C2)OCCCO3
InChI=1SC13H15N3O2Sc121612(141513(16)19)9451011(89)187361710h458H2367H21H3(H1519)
MFCD27966535
ZINC000098063800
ZINC98063800
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