Vitas-M small molecule compound

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

Catalog ID
STL055062
SMILES CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C17H15N5O3S MW 369.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O3S/c1-2-25-15-8-6-13(7-9-15)16-19-20-17(26)21(16)18-11-12-4-3-5-14(10-12)22(23)24/h3-11H,2H2,1H3,(H,20,26)/b18-11+
InChIKey
HWGFLFNJBRZAOC-WOJGMQOQSA-N
Synonyms
497950-20-6
497950206
CCOc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1cccc(c1)(N+)(=O)(O)
MFCD05724361
ZINC000005671654

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Available files

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