Vitas-M small molecule compound
4-bromo-2-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL040095
SMILES CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2[O-])[nH+]nc1c1ccc(cc1)C
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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 C20H20BrN5O2S MW 474.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O2S/c1-3-26-19(14-6-4-13(2)5-7-14)24-25-20(26)29-12-18(28)23-22-11-15-10-16(21)8-9-17(15)27/h4-11,27H,3,12H2,1-2H3,(H,23,28)/b22-11+InChIKey
GHDXPRFKAMVPKL-SSDVNMTOSA-NSynonyms
489422-00-6489422006
4bromo2((E)(2(((4ethyl5(4methylphenyl)4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
CCn1c(SCC(=O)NN=Cc2cc(Br)ccc2(O))(nH+)nc1c1ccc(cc1)C
MFCD03296735
ZINC000001474369
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