Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-(4-methoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447153
SMILES COc1ccc(cc1)CCc1nnc(n1c1ccc2c(c1)OCCO2)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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c1-23-15-6-2-13(3-7-15)4-9-18-20-21-19(26)22(18)14-5-8-16-17(12-14)25-11-10-24-16/h2-3,5-8,12H,4,9-11H2,1H3,(H,21,26)InChIKey
XHUZNWSIUWVEJC-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3(2(4methoxyphenyl)ethyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5(2(4methoxyphenyl)ethyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5(2(4METHOXYPHENYL)ETHYL)124TRIAZOLE3THIOL
COC1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC19H19N3O3Sc123156213(3715)4918202119(26)22(18)14581617(1214)2511102416h235812H4911H21H3(H2126)
MFCD04059927
ZINC000006490634
ZINC06490634
ZINC6490634
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