Vitas-M small molecule compound
4-bromo-2-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Catalog ID
STL037003
SMILES CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2[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 C19H17BrClN5O2S MW 494.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrClN5O2S/c1-2-26-18(12-3-6-15(21)7-4-12)24-25-19(26)29-11-17(28)23-22-10-13-9-14(20)5-8-16(13)27/h3-10,27H,2,11H2,1H3,(H,23,28)/b22-10+InChIKey
OWAQWMNVJBXYGI-LSHDLFTRSA-NSynonyms
497166-29-7497166297
4bromo2((E)(2(((5(4chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
CCn1c(SCC(=O)NN=Cc2cc(Br)ccc2(O))(nH+)nc1c1ccc(cc1)Cl
MFCD02022332
ZINC000001473939
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