Vitas-M small molecule compound
4-cyclopentyl-5-[2-(3,4-dimethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891280
SMILES COc1cc(CCc2nnc(n2C2CCCC2)S)ccc1OC
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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 C17H23N3O2S MW 333.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N3O2S/c1-21-14-9-7-12(11-15(14)22-2)8-10-16-18-19-17(23)20(16)13-5-3-4-6-13/h7,9,11,13H,3-6,8,10H2,1-2H3,(H,19,23)InChIKey
BOPCVUUHZIIWLZ-UHFFFAOYSA-NSynonyms
951902-19-54cyclopentyl3(2(34dimethoxyphenyl)ethyl)1H124triazole5thione
4cyclopentyl5(2(34dimethoxyphenyl)ethyl)4H124triazole3thiol
4cyclopentyl5(34dimethoxyphenethyl)4H124triazole3thiol
951902195
COC1=C(C=C(C=C1)CCC2=NNC(=S)N2C3CCCC3)OC
InChI=1SC17H23N3O2Sc121149712(1115(14)222)81016181917(23)20(16)13534613h791113H36810H212H3(H1923)
MFCD09983436
ZINC000011692626
ZINC11692626
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