Vitas-M small molecule compound

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

Catalog ID
STK587753
SMILES COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Cl

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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 C16H13ClN4OS MW 344.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN4OS/c1-22-14-5-3-2-4-13(14)15-19-20-16(23)21(15)18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey
ZCJNEOPIMSXRIW-VCHYOVAHSA-N
Synonyms
478256-92-7
478256927
COc1ccccc1c1n(nH)c(=S)n1N=Cc1ccc(cc1)Cl
MFCD07206569
ZINC000005911684

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Available files

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