Vitas-M small molecule compound

4-{[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL046979
SMILES COc1cccc(c1O)/C=N/n1c(COc2ccccc2)n[nH]c1=S

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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 C17H16N4O3S MW 356.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O3S/c1-23-14-9-5-6-12(16(14)22)10-18-21-15(19-20-17(21)25)11-24-13-7-3-2-4-8-13/h2-10,22H,11H2,1H3,(H,20,25)/b18-10+
InChIKey
HXNAVQPCTYOPGN-VCHYOVAHSA-N
Synonyms
500275-78-5
4(((E)(2hydroxy3methoxyphenyl)methylidene)amino)5(phenoxymethyl)24dihydro3H124triazole3thione
500275785
COc1cccc(c1O)C=Nn1c(COc2ccccc2)n(nH)c1=S
MFCD03800163
ZINC000001475886

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Available files

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