Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK623551
SMILES COc1ccc(cc1)c1n[nH]c(=S)n1Cc1ccc2c(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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c1-21-13-5-3-12(4-6-13)16-18-19-17(24)20(16)9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,19,24)InChIKey
QWQXCDNTDOPKDE-UHFFFAOYSA-NSynonyms
451501-86-34(13benzodioxol5ylmethyl)3(4methoxyphenyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(4methoxyphenyl)24dihydro3H124triazole3thione
451501863
COC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC4=C(C=C3)OCO4
COc1ccc(cc1)c1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC17H15N3O3Sc121135312(4613)16181917(24)20(16)911271415(811)23102214h28H910H21H3(H1924)
MFCD18159016
ZINC000013724402
ZINC13724402
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Check stock on Vitas-MAvailable files
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