Vitas-M small molecule compound
5-(4-methylphenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL140290
SMILES CC(Cn1c(S)nnc1c1ccc(cc1)C)C
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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 C13H17N3S MW 247.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S/c1-9(2)8-16-12(14-15-13(16)17)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,17)InChIKey
FOVSTMWKIRTUNA-UHFFFAOYSA-NSynonyms
935291-67-13(4methylphenyl)4(2methylpropyl)1H124triazole5thione
5(4methylphenyl)4(2methylpropyl)4H124triazole3thiol
935291671
CC1=CC=C(C=C1)C2=NNC(=S)N2CC(C)C
InChI=1SC13H17N3Sc19(2)81612(141513(16)17)116410(3)5711h479H8H213H3(H1517)
MFCD17011551
ZINC000048513527
ZINC48513527
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