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-N
Synonyms
951902-19-5
4cyclopentyl3(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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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.