Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK625873
SMILES COc1ccc(c(c1)n1c(=S)[nH]nc1c1ccc2c(c1)OCO2)OC

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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-21-11-4-6-13(22-2)12(8-11)20-16(18-19-17(20)25)10-3-5-14-15(7-10)24-9-23-14/h3-8H,9H2,1-2H3,(H,19,25)
InChIKey
LEGGCYIXFUAHQA-UHFFFAOYSA-N
Synonyms
921143-81-9
3(13benzodioxol5yl)4(25dimethoxyphenyl)1H124triazole5thione
5(13benzodioxol5yl)4(25dimethoxyphenyl)24dihydro3H124triazole3thione
921143819
COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4
COc1ccc(c(c1)n1c(=S)(nH)nc1c1ccc2c(c1)OCO2)OC
InChI=1SC17H15N3O4Sc121114613(222)12(811)2016(181917(20)25)10351415(710)2492314h38H9H212H3(H1925)
MFCD09798168
ZINC000009061147
ZINC9061147

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Available files

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