Vitas-M small molecule compound

(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK562104
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)/C(=C(/c2ccc(cc2)F)\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 C27H21FN2O5S MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O5S/c1-3-35-19-11-12-20-21(14-19)36-27(29-20)30-23(16-5-4-6-18(13-16)34-2)22(25(32)26(30)33)24(31)15-7-9-17(28)10-8-15/h4-14,23,31H,3H2,1-2H3/b24-22+
InChIKey
QFSJHZDVBZNSFV-ZNTNEXAZSA-N
Synonyms
514192-96-2
(4E)1(6ethoxy13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(3methoxyphenyl)pyrrolidine23dione
(4E)1(6ETHOXY13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
1(6ETHOXYBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3METHOXYPHENYL)3PYRROLIN2ONE
514192962
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC(=CC=C5)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)C(=C(c2ccc(cc2)F)O)C(=O)C1=O
InChI=1SC27H21FN2O5Sc13351911122021(1419)3627(2920)3023(1654618(1316)342)22(25(32)26(30)33)24(31)157917(28)10815h4142331H3H212H3b2422+
MFCD03795971
ZINC000102509676
ZINC000102509685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.