Vitas-M small molecule compound

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

Catalog ID
STK594598
SMILES CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1

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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 C24H22N4O2S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O2S/c1-2-29-21-13-11-20(12-14-21)23-26-27-24(31)28(23)25-16-19-9-6-10-22(15-19)30-17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,27,31)/b25-16+
InChIKey
YVTSYDJOBBLGTG-PCLIKHOPSA-N
Synonyms
613249-97-1
613249971
CCOc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1cccc(c1)OCc1ccccc1
MFCD07197800
ZINC000009329784

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Available files

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