Vitas-M small molecule compound
2,6-dimethoxy-4-{(E)-[2-({[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STK564287
SMILES COc1cc(cc(c1OC)OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1cc(OC)c(c(c1)OC)[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 C28H29N5O7S MW 579.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O7S/c1-36-20-11-17(12-21(37-2)25(20)35)15-29-30-24(34)16-41-28-32-31-27(33(28)19-9-7-6-8-10-19)18-13-22(38-3)26(40-5)23(14-18)39-4/h6-15,35H,16H2,1-5H3,(H,30,34)/b29-15+InChIKey
WGKLRBOGCGTXAF-WKULSOCRSA-NSynonyms
26dimethoxy4((E)(2(((4phenyl5(345trimethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
COc1cc(cc(c1OC)OC)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=Cc1cc(OC)c(c(c1)OC)(O)
MFCD02075206
ZINC000100613908
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