Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK563996
SMILES Fc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/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 C29H25FN2O3S MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O3S/c1-15(2)18-5-7-19(8-6-18)25-23(26(33)20-9-11-21(30)12-10-20)27(34)28(35)32(25)29-31-24-17(4)13-16(3)14-22(24)36-29/h5-15,25,33H,1-4H3/b26-23+InChIKey
WPYOIDPYEVCQQK-WNAAXNPUSA-NSynonyms
514193-76-1(4E)1(46dimethyl13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
1(46DIMETHYLBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
514193761
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(C)C)C
Fc1ccc(cc1)C(=C1C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC29H25FN2O3Sc115(2)185719(8618)2523(26(33)2091121(30)121020)27(34)28(35)32(25)29312417(4)1316(3)1422(24)3629h5152533H14H3b2623+
MFCD03812181
ZINC000102525059
ZINC000102525065
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.