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-methoxyphenolate
Catalog ID
STK560583
SMILES COc1cccc(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 C19H17ClN4O3S3 MW 481.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3S3/c1-27-15-8-4-6-12(17(15)26)9-21-22-16(25)11-29-19-24-23-18(30-19)28-10-13-5-2-3-7-14(13)20/h2-9,26H,10-11H2,1H3,(H,22,25)/b21-9+InChIKey
XMLJIHGQUJLBKD-ZVBGSRNCSA-NSynonyms
497920-96-42((E)((2((5((2chlorophenyl)methylsulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)6methoxyphenolate
497920964
COC1=CC=CC(=C1(O))C=NNC(=O)CSC2=N(NH+)=C(S2)SCC3=CC=CC=C3Cl
COc1cccc(c1(O))C=NNC(=O)CSc1n(nH+)c(s1)SCc1ccccc1Cl
InChI=1SC19H17ClN4O3S3c1271584612(17(15)26)9212216(25)112919242318(3019)281013523714(13)20h2926H1011H21H3(H2225)b219+
MFCD03303889
ZINC000002357149
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