Vitas-M small molecule compound

2,4-dibromo-6-{(E)-[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate

Catalog ID
STL040255
SMILES O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccc(cc1)Cl)N/N=C/c1cc(Br)cc(c1[O-])Br

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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 C23H16Br2ClN5O2S MW 621.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Br2ClN5O2S/c24-16-10-15(21(33)19(25)11-16)12-27-28-20(32)13-34-23-30-29-22(14-6-8-17(26)9-7-14)31(23)18-4-2-1-3-5-18/h1-12,33H,13H2,(H,28,32)/b27-12+
InChIKey
LHBYAFHKFSTLGJ-KKMKTNMSSA-N
Synonyms

24dibromo6((E)(2(((5(4chlorophenyl)4phenyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
MFCD01586831
O=C(CSc1(nH+)nc(n1c1ccccc1)c1ccc(cc1)Cl)NN=Cc1cc(Br)cc(c1(O))Br

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.