Vitas-M small molecule compound
2-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-6-(prop-2-en-1-yl)phenolate
Catalog ID
STK560023
SMILES C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccccc1Cl
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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 C21H19ClN4O2S3 MW 491.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S3/c1-2-6-14-8-5-9-15(19(14)28)11-23-24-18(27)13-30-21-26-25-20(31-21)29-12-16-7-3-4-10-17(16)22/h2-5,7-11,28H,1,6,12-13H2,(H,24,27)/b23-11+InChIKey
DOBQYKORANNDJC-FOKLQQMPSA-NSynonyms
488802-43-32((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6prop2enylphenolate
2((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6(prop2en1yl)phenolate
488802433
C=CCC1=CC=CC(=C1(O))C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3Cl
C=CCc1cccc(c1(O))C=NNC(=O)CSc1n(nH+)c(s1)SCc1ccccc1Cl
InChI=1SC21H19ClN4O2S3c1261485915(19(14)28)11232418(27)133021262520(3121)2912167341017(16)22h2571128H161213H2(H2427)b2311+
MFCD03293096
ZINC000002284195
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