Vitas-M small molecule compound

4-{[(E)-{3-[(4-iodophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173878
SMILES COc1ccc(cc1COc1ccc(cc1)I)/C=N/n1cnnc1S

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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 C17H15IN4O2S MW 466.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15IN4O2S/c1-23-16-7-2-12(9-20-22-11-19-21-17(22)25)8-13(16)10-24-15-5-3-14(18)4-6-15/h2-9,11H,10H2,1H3,(H,21,25)/b20-9+
InChIKey
NCHDTKVAHZHAGP-AWQFTUOYSA-N
Synonyms
828275-27-0
4(((E)(3((4iodophenoxy)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(3((4iodophenoxy)methyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
828275270
COC1=C(C=C(C=C1)C=NN2C=NNC2=S)COC3=CC=C(C=C3)I
COc1ccc(cc1COc1ccc(cc1)I)C=Nn1cnnc1S
InChI=1SC17H15IN4O2Sc123167212(9202211192117(22)25)813(16)1024155314(18)4615h2911H10H21H3(H2125)b209+
MFCD04056218
ZINC000002788828
ZINC2788827

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Available files

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