Vitas-M small molecule compound
(2-{(E)-[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Catalog ID
STL047189
SMILES COc1ccc(cc1)c1n[nH+]c(n1c1ccccc1)SCC(=O)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 C26H23N5O5S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5S/c1-35-21-13-11-18(12-14-21)25-29-30-26(31(25)20-8-3-2-4-9-20)37-17-23(32)28-27-15-19-7-5-6-10-22(19)36-16-24(33)34/h2-15H,16-17H2,1H3,(H,28,32)(H,33,34)/b27-15+InChIKey
XSIQQMLTKRUODG-JFLMPSFJSA-NSynonyms
314288-43-2(2((E)(2(((5(4methoxyphenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
314288432
COc1ccc(cc1)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=Cc1ccccc1OCC(=O)(O)
MFCD02669830
ZINC000002337593
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