Vitas-M small molecule compound
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzenesulfonate
Catalog ID
STL417992
SMILES COc1cc(/C=N/Nc2nc3c(s2)cccc3)ccc1OS(=O)(=O)c1ccccc1
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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 C21H17N3O4S2 MW 439.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S2/c1-27-19-13-15(14-22-24-21-23-17-9-5-6-10-20(17)29-21)11-12-18(19)28-30(25,26)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)/b22-14+InChIKey
SPKPUWRQWMQMHH-HYARGMPZSA-NSynonyms
(4((E)(13benzothiazol2ylhydrazinylidene)methyl)2methoxyphenyl)benzenesulfonate
4((E)(2(13benzothiazol2yl)hydrazinylidene)methyl)2methoxyphenylbenzenesulfonate
COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OS(=O)(=O)C4=CC=CC=C4
COc1cc(C=NNc2nc3c(s2)cccc3)ccc1OS(=O)(=O)c1ccccc1
InChI=1SC21H17N3O4S2c127191315(1422242123179561020(17)2921)111218(19)2830(2526)167324816h214H1H3(H2324)b2214+
MFCD04503951
ZINC000035170209
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