Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[6-(methylsulfonyl)-1,3-benzothiazol-3-ium-2-yl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL037601
SMILES Cc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)ccc(c2)S(=O)(=O)C
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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 C24H18N2O5S3 MW 510.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O5S3/c1-13-5-7-14(8-6-13)20-19(21(27)17-4-3-11-32-17)22(28)23(29)26(20)24-25-16-10-9-15(34(2,30)31)12-18(16)33-24/h3-12,20,27H,1-2H3/b21-19+InChIKey
IAYXHLYCDWHQDF-XUTLUUPISA-NSynonyms
(E)(2(4methylphenyl)1(6(methylsulfonyl)13benzothiazol3ium2yl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
Cc1ccc(cc1)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1c1sc2c((nH+)1)ccc(c2)S(=O)(=O)C
MFCD18247456
ZINC000102858660
ZINC000102858665
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