Vitas-M small molecule compound

2-[(pyridin-2-ylsulfanyl)methyl]benzoic acid

Catalog ID
STK666051
SMILES OC(=O)c1ccccc1CSc1ccccn1

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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 C13H11NO2S MW 245.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO2S/c15-13(16)11-6-2-1-5-10(11)9-17-12-7-3-4-8-14-12/h1-8H,9H2,(H,15,16)
InChIKey
PNHWUGPIUDBHHQ-UHFFFAOYSA-N
Synonyms
696607-25-7
2((2PYRIDINYLTHIO)METHYL)BENZOICACID
2((2PYRIDYLTHIO)METHYL)BENZOICACID
2((pyridin2ylsulfanyl)methyl)benzoicacid
2(2PYRIDYLTHIOMETHYL)BENZOICACID
2(PYRIDIN2YLSULFANYLMETHYL)BENZOICACID
696607257
C1=CC=C(C(=C1)CSC2=CC=CC=N2)C(=O)O
InChI=1SC13H11NO2Sc1513(16)11621510(11)9171273481412h18H9H2(H1516)
MFCD05854567
ZINC000001425396
ZINC1425396

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Available files

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