Vitas-M small molecule compound
2,6-dimethoxy-4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenolate
Catalog ID
STL044448
SMILES COc1cc(/C=N/NC(=O)CSc2n[nH+]c(s2)SCc2ccc(cc2)C)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 C21H22N4O4S3 MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S3/c1-13-4-6-14(7-5-13)11-30-20-24-25-21(32-20)31-12-18(26)23-22-10-15-8-16(28-2)19(27)17(9-15)29-3/h4-10,27H,11-12H2,1-3H3,(H,23,26)/b22-10+InChIKey
JBITWJJBNIYYDZ-LSHDLFTRSA-NSynonyms
380473-23-4380473234
COc1cc(C=NNC(=O)CSc2n(nH+)c(s2)SCc2ccc(cc2)C)cc(c1(O))OC
MFCD03154815
ZINC000002215509
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