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-methoxyphenolate
Catalog ID
STL037965
SMILES COc1cc(/C=N/NC(=O)CSc2n[nH+]c(s2)SCc2ccccc2Cl)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 C19H17ClN4O3S3 MW 481.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3S3/c1-27-16-8-12(6-7-15(16)25)9-21-22-17(26)11-29-19-24-23-18(30-19)28-10-13-4-2-3-5-14(13)20/h2-9,25H,10-11H2,1H3,(H,22,26)/b21-9+InChIKey
YEOPIXMWPCSXLI-ZVBGSRNCSA-NSynonyms
497920-81-74((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenolate
4((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenolate
497920817
COC1=C(C=CC(=C1)C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3Cl)(O)
COc1cc(C=NNC(=O)CSc2n(nH+)c(s2)SCc2ccccc2Cl)ccc1(O)
InChI=1SC19H17ClN4O3S3c12716812(6715(16)25)9212217(26)112919242318(3019)281013423514(13)20h2925H1011H21H3(H2226)b219+
MFCD03304319
ZINC000013617849
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