Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447174
SMILES COc1cccc(c1)OCc1nnc(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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-22-13-3-2-4-14(10-13)25-11-17-19-20-18(26)21(17)12-5-6-15-16(9-12)24-8-7-23-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,26)InChIKey
XJLCEKWGWCHLIJ-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6yl)3((3methoxyphenoxy)methyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5((3methoxyphenoxy)methyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5((3METHOXYPHENOXY)METHYL)124TRIAZOLE3THIOL
COC1=CC(=CC=C1)OCC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC18H17N3O4Sc1221332414(1013)251117192018(26)21(17)12561516(912)24872315h26910H7811H21H3(H2026)
MFCD04059912
ZINC000006490788
ZINC06490788
ZINC6490788
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