Vitas-M small molecule compound

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

Catalog ID
STK565139
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)F)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 C28H23FN2O4S MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN2O4S/c1-4-35-20-11-7-18(8-12-20)25(32)22-24(17-5-9-19(29)10-6-17)31(27(34)26(22)33)28-30-23-16(3)13-15(2)14-21(23)36-28/h5-14,24,32H,4H2,1-3H3/b25-22+
InChIKey
USKBAAOPQFIFLB-YYDJUVGSSA-N
Synonyms
514194-46-8
(4E)1(46dimethyl13benzothiazol2yl)4((4ethoxyphenyl)(hydroxy)methylidene)5(4fluorophenyl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4FLUOROPHENYL)PYRROLIDINE23DIONE
1(46DIMETHYLBENZOTHIAZOL2YL)4((4ETHOXYPHENYL)CARBONYL)5(4FLUOROPHENYL)3HYDROXY3PYRROLIN2ONE
514194468
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)F)O
CCOc1ccc(cc1)C(=C1C(c2ccc(cc2)F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC28H23FN2O4Sc14352011718(81220)25(32)2224(175919(29)10617)31(27(34)26(22)33)28302316(3)1315(2)1421(23)3628h5142432H4H213H3b2522+
MFCD03806191
ZINC000102532892
ZINC000102532899

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Available files

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