Vitas-M small molecule compound
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL039794
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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/c1-3-33-19-12-10-17(11-13-19)23-22(24(30)18-7-5-4-6-8-18)25(31)26(32)29(23)27-28-20-14-9-16(2)15-21(20)34-27/h4-15,23,30H,3H2,1-2H3/b24-22+InChIKey
KELDXXSYRJEJEG-ZNTNEXAZSA-NSynonyms
514188-59-1(4E)5(4ethoxyphenyl)4(hydroxy(phenyl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
5(4ETHOXYPHENYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)4(PHENYLCARBONYL)3PYRROLIN2ONE
514188591
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)C
CCOc1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC27H22N2O4Sc133319121017(111319)2322(24(30)187546818)25(31)26(32)29(23)27282014916(2)1521(20)3427h4152330H3H212H3b2422+
MFCD03795902
ZINC000102864622
ZINC000102864627
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