Vitas-M small molecule compound
4-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenolate
Catalog ID
STL147455
SMILES COc1cc(/C=N/NC(=O)CSc2n[nH+]c(s2)SCc2ccccc2Cl)cc(c1[O-])OC
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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 C20H19ClN4O4S3 MW 511.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4S3/c1-28-15-7-12(8-16(29-2)18(15)27)9-22-23-17(26)11-31-20-25-24-19(32-20)30-10-13-5-3-4-6-14(13)21/h3-9,27H,10-11H2,1-2H3,(H,23,26)/b22-9+InChIKey
NLEFPBFZBMVBCI-LSFURLLWSA-NSynonyms
489414-32-64((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenolate
4((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenolate
489414326
COC1=CC(=CC(=C1(O))OC)C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3Cl
COc1cc(C=NNC(=O)CSc2n(nH+)c(s2)SCc2ccccc2Cl)cc(c1(O))OC
InChI=1SC20H19ClN4O4S3c12815712(816(292)18(15)27)9222317(26)113120252419(3220)301013534614(13)21h3927H1011H212H3(H2326)b229+
MFCD03296385
ZINC000002255509
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