Vitas-M small molecule compound

4-butyl-5-(5-propylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK449665
SMILES CCCCn1c(S)nnc1c1csc(c1)CCC

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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 C13H19N3S2 MW 281.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3S2/c1-3-5-7-16-12(14-15-13(16)17)10-8-11(6-4-2)18-9-10/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKey
NSQOMZQFSFJLBA-UHFFFAOYSA-N
Synonyms

4BUTYL3(5PROPYLTHIOPHEN3YL)1H124TRIAZOLE5THIONE
4BUTYL5(5PROPYL(3THIENYL))124TRIAZOLE3THIOL
4BUTYL5(5PROPYL3THIENYL)4H124TRIAZOL3YLHYDROSULFIDE
4butyl5(5propylthiophen3yl)4H124triazole3thiol
CCCCN1C(=NNC1=S)C2=CSC(=C2)CCC
InChI=1SC13H19N3S2c13571612(141513(16)17)10811(642)18910h89H37H212H3(H1517)
MFCD03467471
ZINC000005898042
ZINC05898042
ZINC5898042

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Available files

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