Vitas-M small molecule compound
4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenolate
Catalog ID
STL048162
SMILES [O-]c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1[NH3+]
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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 C20H18N8O3S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O3S/c1-12-2-8-15(9-3-12)32-11-16-17(23-27-28(16)19-18(21)25-31-26-19)20(30)24-22-10-13-4-6-14(29)7-5-13/h2-10,29H,11H2,1H3,(H2,21,25)(H,24,30)/b22-10+InChIKey
HRCLFGRRWFKLLE-LSHDLFTRSA-NSynonyms
849032-83-3(O)c1ccc(cc1)C=NNC(=O)c1nnn(c1CSc1ccc(cc1)C)c1nonc1(NH3+)
849032833
MFCD05682091
ZINC000001898095
Check stock
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Check stock on Vitas-MAvailable files
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