Vitas-M small molecule compound
5-(2-chlorophenyl)-4-pentyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK946052
SMILES CCCCCn1c(S)nnc1c1ccccc1Cl
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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 C13H16ClN3S MW 281.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3S/c1-2-3-6-9-17-12(15-16-13(17)18)10-7-4-5-8-11(10)14/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,18)InChIKey
SHDDZLUDNPTYEI-UHFFFAOYSA-NSynonyms
3(2chlorophenyl)4pentyl1H124triazole5thione
5(2chlorophenyl)4pentyl4H124triazole3thiol
CCCCCN1C(=NNC1=S)C2=CC=CC=C2Cl
InChI=1SC13H16ClN3Sc123691712(151613(17)18)10745811(10)14h4578H2369H21H3(H1618)
MFCD09983415
ZINC000011692598
ZINC11692598
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