Vitas-M small molecule compound
5-(2-methoxyphenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL122497
SMILES COc1ccccc1c1nnc(n1CC(C)C)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 C13H17N3OS MW 263.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3OS/c1-9(2)8-16-12(14-15-13(16)18)10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3,(H,15,18)InChIKey
CSANWRQXSPMUJN-UHFFFAOYSA-NSynonyms
3(2methoxyphenyl)4(2methylpropyl)1H124triazole5thione
5(2methoxyphenyl)4(2methylpropyl)4H124triazole3thiol
CC(C)CN1C(=NNC1=S)C2=CC=CC=C2OC
InChI=1SC13H17N3OSc19(2)81612(141513(16)18)10645711(10)173h479H8H213H3(H1518)
MFCD17011552
ZINC000009927975
ZINC9927975
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