Vitas-M small molecule compound

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

Catalog ID
STL047714
SMILES O=C(CSc1[nH+]nc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1ccccc1OCC(=O)[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 C27H25N5O4S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O4S/c1-18-7-11-20(12-8-18)26-30-31-27(32(26)22-13-9-19(2)10-14-22)37-17-24(33)29-28-15-21-5-3-4-6-23(21)36-16-25(34)35/h3-15H,16-17H2,1-2H3,(H,29,33)(H,34,35)/b28-15+
InChIKey
PWFFFXUJKNBMMJ-RWPZCVJISA-N
Synonyms
498544-73-3
(2((E)(2(((45bis(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
498544733
MFCD03091548
O=C(CSc1(nH+)nc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1ccccc1OCC(=O)(O)

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Available files

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