Vitas-M small molecule compound
2-bromo-4-{(E)-[2-({[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-6-methoxyphenolate
Catalog ID
STL040237
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)c(c(c2)OC)[O-])[nH+]nc1c1ccc(cc1)Cl
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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 C26H23BrClN5O4S MW 616.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrClN5O4S/c1-3-37-20-10-8-19(9-11-20)33-25(17-4-6-18(28)7-5-17)31-32-26(33)38-15-23(34)30-29-14-16-12-21(27)24(35)22(13-16)36-2/h4-14,35H,3,15H2,1-2H3,(H,30,34)/b29-14+InChIKey
AKXLINOSTJTSFO-IPPBACCNSA-NSynonyms
2bromo4((E)(2(((5(4chlorophenyl)4(4ethoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2cc(Br)c(c(c2)OC)(O))(nH+)nc1c1ccc(cc1)Cl
MFCD03677622
ZINC000100972704
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