Vitas-M small molecule compound

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

Catalog ID
STL045050
SMILES COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

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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 C17H16N4OS MW 324.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4OS/c1-12-5-3-4-6-14(12)11-18-21-16(19-20-17(21)23)13-7-9-15(22-2)10-8-13/h3-11H,1-2H3,(H,20,23)/b18-11+
InChIKey
VQMNSCHXBWACCK-WOJGMQOQSA-N
Synonyms
497082-97-0
3(4METHOXYPHENYL)4((E)(2METHYLPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
497082970
5(4methoxyphenyl)4(((E)(2methylphenyl)methylidene)amino)24dihydro3H124triazole3thione
COc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccccc1C
InChI=1SC17H16N4OSc112534614(12)11182116(192017(21)23)137915(222)10813h311H12H3(H2023)b1811+
MFCD03802158
ZINC000001241083
ZINC01241082
ZINC1241082

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Available files

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