Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK450351
SMILES COc1ccc(cc1OC)CCn1c(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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c1-23-14-5-3-12(9-16(14)24-2)7-8-22-18(20-21-19(22)27)13-4-6-15-17(10-13)26-11-25-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,27)InChIKey
XLBQMOOTRKYQHY-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4(2(34dimethoxyphenyl)ethyl)1H124triazole5thione
5(13benzodioxol5yl)4(2(34dimethoxyphenyl)ethyl)4H124triazole3thiol
5(2HBENZO(34D)13DIOXOLAN5YL)4(2(34DIMETHOXYPHENYL)ETHYL)124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC4=C(C=C3)OCO4)OC
InChI=1SC19H19N3O4Sc123145312(916(14)242)782218(202119(22)27)13461517(1013)26112515h36910H7811H212H3(H2127)
MFCD06758120
ZINC000017078679
ZINC17078679
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