Vitas-M small molecule compound

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

Catalog ID
STK588201
SMILES CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OCC

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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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-3-5-6-14-28-19-12-10-17(11-13-19)16-23-26-21(24-25-22(26)29)18-8-7-9-20(15-18)27-4-2/h7-13,15-16H,3-6,14H2,1-2H3,(H,25,29)/b23-16+
InChIKey
CJWWPLUVVLNJPN-XQNSMLJCSA-N
Synonyms
497949-86-7
497949867
CCCCCOc1ccc(cc1)C=Nn1c(=S)(nH)nc1c1cccc(c1)OCC
MFCD07199596
ZINC000005825016

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Available files

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