Vitas-M small molecule compound

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

Catalog ID
STL040919
SMILES COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1O

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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/c1-23-13-4-2-3-10(8-13)15-19-20-16(24)21(15)18-9-11-7-12(17)5-6-14(11)22/h2-9,22H,1H3,(H,20,24)/b18-9+
InChIKey
KPCJRSAJBSLZQY-GIJQJNRQSA-N
Synonyms
497920-49-7
4(((E)(5bromo2hydroxyphenyl)methylidene)amino)5(3methoxyphenyl)24dihydro3H124triazole3thione
497920497
COc1cccc(c1)c1n(nH)c(=S)n1N=Cc1cc(Br)ccc1O
MFCD05734410
ZINC000002225277

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Available files

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