Vitas-M small molecule compound
4-bromo-2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL046345
SMILES COc1cc(ccc1OC)c1n[nH+]c(n1c1ccccc1)SCC(=O)N/N=C/c1cc(Br)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 C25H22BrN5O4S MW 568.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O4S/c1-34-21-11-8-16(13-22(21)35-2)24-29-30-25(31(24)19-6-4-3-5-7-19)36-15-23(33)28-27-14-17-12-18(26)9-10-20(17)32/h3-14,32H,15H2,1-2H3,(H,28,33)/b27-14+InChIKey
WJGINEHGVKJLEJ-MZJWZYIUSA-NSynonyms
4bromo2((E)(2(((5(34dimethoxyphenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
COc1cc(ccc1OC)c1n(nH+)c(n1c1ccccc1)SCC(=O)NN=Cc1cc(Br)ccc1(O)
MFCD01841591
ZINC000100559065
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