Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL044666
SMILES Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccccc1)/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 C26H19FN2O3S MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN2O3S/c1-14-12-15(2)21-19(13-14)33-26(28-21)29-22(16-8-10-18(27)11-9-16)20(24(31)25(29)32)23(30)17-6-4-3-5-7-17/h3-13,22,30H,1-2H3/b23-20+InChIKey
XJUWHFZECYYGEB-BSYVCWPDSA-NSynonyms
514193-43-2(4E)1(46dimethyl13benzothiazol2yl)5(4fluorophenyl)4(hydroxy(phenyl)methylidene)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)5(4FLUOROPHENYL)3HYDROXY4(PHENYLCARBONYL)3PYRROLIN2ONE
514193432
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)F)C
Fc1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccccc1)O
InChI=1SC26H19FN2O3Sc1141215(2)2119(1314)3326(2821)2922(1681018(27)11916)20(24(31)25(29)32)23(30)176435717h3132230H12H3b2320+
MFCD03818120
ZINC000102875533
ZINC000102875535
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