Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447189
SMILES COc1ccc(cc1)Cc1nnc(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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-22-14-5-2-12(3-6-14)10-17-19-20-18(25)21(17)13-4-7-15-16(11-13)24-9-8-23-15/h2-7,11H,8-10H2,1H3,(H,20,25)InChIKey
PSXPUCVOQRHTQS-UHFFFAOYSA-NSynonyms
724759-44-84(23DIHYDRO14BENZODIOXIN6YL)3((4METHOXYPHENYL)METHYL)1H124TRIAZOLE5THIONE
4(23dihydro14benzodioxin6yl)5(4methoxybenzyl)4H124triazole3thiol
4(23dihydrobenzo(b)(14)dioxin6yl)5(4methoxybenzyl)4H124triazole3thiol
COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
InChI=1SC18H17N3O3Sc122145212(3614)1017192018(25)21(17)13471516(1113)24982315h2711H810H21H3(H2025)
MFCD04059843
ZINC000005796061
ZINC05796061
ZINC5796061
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