Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Catalog ID
STL149864
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccccc2)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O
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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/c1-3-33-19-13-14-20-21(15-19)34-27(28-20)29-23(17-7-5-4-6-8-17)22(25(31)26(29)32)24(30)18-11-9-16(2)10-12-18/h4-15,23,30H,3H2,1-2H3/b24-22+InChIKey
CUCVZVPPCRQSJM-ZNTNEXAZSA-NSynonyms
514192-70-2(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(4methylphenyl)methylidene)5phenylpyrrolidine23dione
1(6ETHOXYBENZOTHIAZOL2YL)3HYDROXY4((4METHYLPHENYL)CARBONYL)5PHENYL3PYRROLIN2ONE
514192702
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)C)O)C(=O)C3=O)C5=CC=CC=C5
CCOc1ccc2c(c1)sc(n2)N1C(c2ccccc2)C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC27H22N2O4Sc13331913142021(1519)3427(2820)2923(177546817)22(25(31)26(29)32)24(30)1811916(2)101218h4152330H3H212H3b2422+
MFCD03818270
ZINC000102929739
ZINC000102929742
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