2,2'-pyridylisatogen tosylate   Click here for help

GtoPdb Ligand ID: 1729

Abbreviated name: PIT
Compound class: Synthetic organic
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+]1=C(c2ccccn2)C(=O)c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O
Isomeric SMILES [O-][N+]1=C(c2ccccn2)C(=O)c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O
InChI InChI=1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)
InChI Key MMPTYEXNPWSTOR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one
Database Links Click here for help
ChEMBL Ligand CHEMBL1364808
GtoPdb PubChem SID 135649681
PubChem CID 124333
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Tocris
PIT
Cat. No. 1682