Vitas-M small molecule compound

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

Catalog ID
STL043567
SMILES COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1

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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 C16H14N4OS MW 310.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4OS/c1-21-14-9-5-6-12(10-14)11-17-20-15(18-19-16(20)22)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,22)/b17-11+
InChIKey
OTXIMGRGLLRPFF-GZTJUZNOSA-N
Synonyms
311781-39-2
311781392
4(((E)(3methoxyphenyl)methylidene)amino)5phenyl24dihydro3H124triazole3thione
4((1E)2(3METHOXYPHENYL)1AZAVINYL)5PHENYL124TRIAZOLE3THIOL
4((E)(3METHOXYPHENYL)METHYLIDENEAMINO)3PHENYL1H124TRIAZOLE5THIONE
InChI=1SC16H14N4OSc1211495612(1014)11172015(181916(20)22)137324813h211H1H3(H1922)b1711+
MFCD03815584
ZINC000001257952
ZINC01257951
ZINC1257951

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Available files

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