Vitas-M small molecule compound

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

Catalog ID
STL045051
SMILES COc1cccc(c1)/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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-22-15-9-5-6-13(10-15)11-18-21-16(19-20-17(21)24)12-23-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,24)/b18-11+
InChIKey
HHEOHQUQQYXISD-WOJGMQOQSA-N
Synonyms
489398-12-1
4(((E)(3methoxyphenyl)methylidene)amino)5(phenoxymethyl)24dihydro3H124triazole3thione
4((1E)2(3METHOXYPHENYL)1AZAVINYL)5(PHENOXYMETHYL)124TRIAZOLE3THIOL
4((E)(3METHOXYPHENYL)METHYLIDENEAMINO)3(PHENOXYMETHYL)1H124TRIAZOLE5THIONE
489398121
COC1=CC=CC(=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3
COc1cccc(c1)C=Nn1c(COc2ccccc2)n(nH)c1=S
InChI=1SC17H16N4O2Sc1221595613(1015)11182116(192017(21)24)1223147324814h211H12H21H3(H2024)b1811+
MFCD03810296
ZINC000004900872
ZINC2234252

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Available files

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