Vitas-M small molecule compound

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

Catalog ID
STL038613
SMILES COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

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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 C23H20N4O2S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S/c1-28-20-13-12-19(14-21(20)29-2)22-25-26-23(30)27(22)24-15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,26,30)/b24-15+
InChIKey
ORMYSUGOEIYAKT-BUVRLJJBSA-N
Synonyms
489415-74-9
489415749
COc1cc(ccc1OC)c1n(nH)c(=S)n1N=Cc1ccc(cc1)c1ccccc1
MFCD03806183
ZINC000002700130

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Available files

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