Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450290
SMILES COCCCn1c(S)nnc1c1ccc2c(c1)OCO2
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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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-17-6-2-5-16-12(14-15-13(16)20)9-3-4-10-11(7-9)19-8-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,20)InChIKey
XKVDTUZABKKSPD-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4(3methoxypropyl)1H124triazole5thione
5(13benzodioxol5yl)4(3methoxypropyl)4H124triazole3thiol
5(2HBENZO(34D)13DIOXOLAN5YL)4(3METHOXYPROPYL)124TRIAZOLE3THIOL
COCCCN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3
InChI=1SC13H15N3O3Sc1176251612(141513(16)20)9341011(79)1981810h347H2568H21H3(H1520)
MFCD06194980
ZINC000017023188
ZINC17023188
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