Vitas-M small molecule compound

2-chloro-5-[3-(2-hydroxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid

Catalog ID
STK621242
SMILES Oc1ccccc1c1n[nH]c(=S)n1c1ccc(c(c1)C(=O)O)Cl

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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 C15H10ClN3O3S MW 347.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN3O3S/c16-11-6-5-8(7-10(11)14(21)22)19-13(17-18-15(19)23)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,23)(H,21,22)
InChIKey
IRZPDYGEGYGNAE-UHFFFAOYSA-N
Synonyms
893775-10-5
2chloro5(3(2hydroxyphenyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
893775105
MFCD09798679
Oc1ccccc1c1n(nH)c(=S)n1c1ccc(c(c1)C(=O)O)Cl
ZINC000006659250

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Available files

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