Vitas-M small molecule compound
4-bromo-2-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Catalog ID
STL043348
SMILES O=C(CSc1n[nH+]c(s1)SCc1ccccc1Cl)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 C18H14BrClN4O2S3 MW 529.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrClN4O2S3/c19-13-5-6-15(25)12(7-13)8-21-22-16(26)10-28-18-24-23-17(29-18)27-9-11-3-1-2-4-14(11)20/h1-8,25H,9-10H2,(H,22,26)/b21-8+InChIKey
YFGOYXARGRMAIT-ODCIPOBUSA-NSynonyms
488851-39-4488851394
4bromo2((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
4bromo2((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
C1=CC=C(C(=C1)CSC2=(NH+)N=C(S2)SCC(=O)NN=CC3=C(C=CC(=C3)Br)(O))Cl
InChI=1SC18H14BrClN4O2S3c19135615(25)12(713)8212216(26)102818242317(2918)27911312414(11)20h1825H910H2(H2226)b218+
MFCD03294616
O=C(CSc1n(nH+)c(s1)SCc1ccccc1Cl)NN=Cc1cc(Br)ccc1(O)
ZINC000002206145
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