Vitas-M small molecule compound

4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]butanoic acid

Catalog ID
STK576625
SMILES CSCCC(n1c(=S)[nH]nc1c1ccc2c(n1)cccc2)C(=O)O

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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 C16H16N4O2S2 MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2S2/c1-24-9-8-13(15(21)22)20-14(18-19-16(20)23)12-7-6-10-4-2-3-5-11(10)17-12/h2-7,13H,8-9H2,1H3,(H,19,23)(H,21,22)
InChIKey
ZNLBRKMAEMAUEZ-UHFFFAOYSA-N
Synonyms
728035-31-2
4(methylsulfanyl)2(3(quinolin2yl)5thioxo15dihydro4H124triazol4yl)butanoicacid
CSCCC(n1c(=S)(nH)nc1c1ccc2c(n1)cccc2)C(=O)O
MFCD07202399
ZINC000006166237
ZINC000006166249

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Available files

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