Vitas-M small molecule compound
4-(bicyclo[2.2.2]oct-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL480775
SMILES Sc1nnc(n1C1CC2CCC1CC2)c1ccc(cc1)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 C17H21N3S MW 299.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3S/c1-11-2-6-14(7-3-11)16-18-19-17(21)20(16)15-10-12-4-8-13(15)9-5-12/h2-3,6-7,12-13,15H,4-5,8-10H2,1H3,(H,19,21)InChIKey
GZSXVKZILMNYKE-UHFFFAOYSA-NSynonyms
4(3bicyclo(222)octanyl)3(4methylphenyl)1H124triazole5thione
4(bicyclo(222)oct2yl)5(4methylphenyl)4H124triazole3thiol
CC1=CC=C(C=C1)C2=NNC(=S)N2C3CC4CCC3CC4
InChI=1SC17H21N3Sc1112614(7311)16181917(21)20(16)1510124813(15)9512h2367121315H45810H21H3(H1921)
MFCD30713184
ZINC000334160535
ZINC000334160536
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