Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STK559115
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1c1sc2c([nH+]1)cccc2
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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 C26H20N2O4S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4S/c1-15-7-9-17(10-8-15)23(29)21-22(16-11-13-18(32-2)14-12-16)28(25(31)24(21)30)26-27-19-5-3-4-6-20(19)33-26/h3-14,22,29H,1-2H3/b23-21+InChIKey
HJFMTGKOGZUQIY-XTQSDGFTSA-NSynonyms
421581-59-1(4E)1(13BENZOTHIAZOL2YL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
421581591
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC)O
COc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1c1sc2c((nH+)1)cccc2
InChI=1SC26H20N2O4Sc1157917(10815)23(29)2122(16111318(322)141216)28(25(31)24(21)30)262719534620(19)3326h3142229H12H3b2321+
MFCD18243196
ZINC000102484600
ZINC000102484610
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