Vitas-M small molecule compound

3-[({[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STK195998
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc([nH]1)c1cc(Br)ccc1O

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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 C17H13BrN4O4S MW 449.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O4S/c18-10-4-5-13(23)12(7-10)15-20-17(22-21-15)27-8-14(24)19-11-3-1-2-9(6-11)16(25)26/h1-7,23H,8H2,(H,19,24)(H,25,26)(H,20,21,22)
InChIKey
JGIJQCZSLDNUDQ-UHFFFAOYSA-N
Synonyms

3((((5(5bromo2hydroxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
MFCD06665872
O=C(Nc1cccc(c1)C(=O)O)CSc1nnc((nH)1)c1cc(Br)ccc1O
ZINC000009235544

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Available files

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