Vitas-M small molecule compound

4-pentyl-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK891257
SMILES CCCCCn1c(S)nnc1c1ccccc1

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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 C13H17N3S MW 247.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S/c1-2-3-7-10-16-12(14-15-13(16)17)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,17)
InChIKey
AWWOVSPVVZKUNK-UHFFFAOYSA-N
Synonyms
942876-13-3
4pentyl3phenyl1H124triazole5thione
4pentyl5phenyl4H124triazole3thiol
942876133
CCCCCN1C(=NNC1=S)C2=CC=CC=C2
InChI=1SC13H17N3Sc1237101612(141513(16)17)118546911h4689H23710H21H3(H1517)
MFCD09983413
ZINC000011692596
ZINC11692596

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Available files

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