Vitas-M small molecule compound

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

Catalog ID
STK562531
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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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/c1-4-35-20-11-7-17(8-12-20)24-22(25(32)18-5-9-19(29)10-6-18)26(33)27(34)31(24)28-30-23-16(3)13-15(2)14-21(23)36-28/h5-14,24,32H,4H2,1-3H3/b25-22+
InChIKey
DMCVBSVKLXTYOS-YYDJUVGSSA-N
Synonyms
514193-90-9
(4E)1(46dimethyl13benzothiazol2yl)5(4ethoxyphenyl)4((4fluorophenyl)(hydroxy)methylidene)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)5(4ETHOXYPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
1(46DIMETHYLBENZOTHIAZOL2YL)5(4ETHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
514193909
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C
CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)F)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC28H23FN2O4Sc14352011717(81220)2422(25(32)185919(29)10618)26(33)27(34)31(24)28302316(3)1315(2)1421(23)3628h5142432H4H213H3b2522+
MFCD03808432
ZINC000102513226
ZINC000102513235

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Available files

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