Vitas-M small molecule compound

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

Catalog ID
STK846069
SMILES COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(c(c1)OC)OC

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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-30-20-12-10-19(14-22(20)32-3)24-27-28-25(34)29(24)26-15-18-9-11-21(31-2)23(13-18)33-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,28,34)/b26-15+
InChIKey
SYIBPQAXISVJCS-CVKSISIWSA-N
Synonyms
497248-54-1
497248541
COc1ccc(cc1OCc1ccccc1)C=Nn1c(=S)(nH)nc1c1ccc(c(c1)OC)OC
MFCD03801852
ZINC000002293473

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Available files

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