Vitas-M small molecule compound

4-{(E)-[2-({[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-ethoxyphenolate

Catalog ID
STL039484
SMILES CCOc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)OC)c2ccc(cc2)OC)ccc1[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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c1-4-37-24-15-18(5-14-23(24)33)16-28-29-25(34)17-38-27-31-30-26(19-6-10-21(35-2)11-7-19)32(27)20-8-12-22(36-3)13-9-20/h5-16,33H,4,17H2,1-3H3,(H,29,34)/b28-16+
InChIKey
YXTMOFVDPWRAJT-LQKURTRISA-N
Synonyms
406464-31-1
4((E)(2(((45bis(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2ethoxyphenolate
406464311
CCOc1cc(C=NNC(=O)CSc2(nH+)nc(n2c2ccc(cc2)OC)c2ccc(cc2)OC)ccc1(O)
MFCD03220709
ZINC000001474588

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Available files

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