Vitas-M small molecule compound
5-[1-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447335
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)C(Oc1ccc2c(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 C19H17N3O5S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5S/c1-11(27-13-3-5-15-17(9-13)26-10-25-15)18-20-21-19(28)22(18)12-2-4-14-16(8-12)24-7-6-23-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,28)InChIKey
KBCPVDIGRJXMHF-UHFFFAOYSA-NSynonyms
3(1(13benzodioxol5yloxy)ethyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5(2HBENZO(34D)13DIOXOLAN5YLOXYETHYL)124TRIAZOLE3THIOL
5(1(13benzodioxol5yloxy)ethyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CC(C1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3)OC4=CC5=C(C=C4)OCO5
InChI=1SC19H17N3O5Sc111(2713351517(913)26102515)18202119(28)22(18)12241416(812)24762314h258911H6710H21H3(H2128)
MFCD04059761
ZINC000006522220
ZINC000006525430
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