Vitas-M small molecule compound

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

Catalog ID
STK599160
SMILES COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

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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 C16H13BrN4O2S MW 405.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4O2S/c1-23-13-8-4-5-10(14(13)22)9-18-21-15(19-20-16(21)24)11-6-2-3-7-12(11)17/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey
IWSRTVHYCQRAHB-GIJQJNRQSA-N
Synonyms
497865-68-6
497865686
5(2bromophenyl)4(((E)(2hydroxy3methoxyphenyl)methylidene)amino)24dihydro3H124triazole3thione
COc1cccc(c1O)C=Nn1c(=S)(nH)nc1c1ccccc1Br
MFCD07200886
ZINC000006007372

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Available files

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