Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK565634
SMILES COc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C27H22N2O4S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S/c1-15-13-16(2)22-20(14-15)34-27(28-22)29-23(17-9-11-19(33-3)12-10-17)21(25(31)26(29)32)24(30)18-7-5-4-6-8-18/h4-14,23,30H,1-3H3/b24-21+InChIKey
MKDPWYSTPVQHJI-DARPEHSRSA-NSynonyms
514193-52-3(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(phenyl)methylidene)5(4methoxyphenyl)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)3HYDROXY5(4METHOXYPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514193523
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)OC)C
COc1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC27H22N2O4Sc1151316(2)2220(1415)3427(2822)2923(1791119(333)121017)21(25(31)26(29)32)24(30)187546818h4142330H13H3b2421+
MFCD03811485
ZINC000102536428
ZINC000102536436
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