Vitas-M small molecule compound
4-(4-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL381301
SMILES Cc1ccc(cc1)n1c(nnc1S)CCc1ccccc1
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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 C17H17N3S MW 295.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3S/c1-13-7-10-15(11-8-13)20-16(18-19-17(20)21)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H,19,21)InChIKey
JQHMRIUMHQYRCS-UHFFFAOYSA-NSynonyms
4(4methylphenyl)3(2phenylethyl)1H124triazole5thione
4(4METHYLPHENYL)3PHENETHYL1H124TRIAZOLE5THIONE
4(4methylphenyl)5(2phenylethyl)4H124triazole3thiol
CC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3
InChI=1SC17H17N3Sc11371015(11813)2016(181917(20)21)129145324614h281011H912H21H3(H1921)
MFCD05134125
ZINC000005926573
ZINC05926573
ZINC5926573
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