Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STK560969
SMILES COc1ccccc1C1/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/c1-15-11-13-16(14-12-15)23(29)21-22(17-7-3-5-9-19(17)32-2)28(25(31)24(21)30)26-27-18-8-4-6-10-20(18)33-26/h3-14,22,29H,1-2H3/b23-21+InChIKey
BDUIQGQFZAONFQ-XTQSDGFTSA-NSynonyms
421581-65-9(4E)1(13BENZOTHIAZOL2YL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
421581659
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5OC)O
COc1ccccc1C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1c1sc2c((nH+)1)cccc2
InChI=1SC26H20N2O4Sc115111316(141215)23(29)2122(17735919(17)322)28(25(31)24(21)30)2627188461020(18)3326h3142229H12H3b2321+
MFCD18243678
ZINC000102500531
ZINC000102500541
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