Vitas-M small molecule compound

(4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione

Catalog ID
STK846495
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-13-3-5-15(6-4-13)19(24)17-18(14-7-9-16(23)10-8-14)22(11-12-27-2)21(26)20(17)25/h3-10,18,23-24H,11-12H2,1-2H3/b19-17+
InChIKey
JBOIZCPXOWOVFY-HTXNQAPBSA-N
Synonyms
384799-90-0
(4E)4(hydroxy(4methylphenyl)methylidene)5(4hydroxyphenyl)1(2methoxyethyl)pyrrolidine23dione
384799900
3HYDROXY5(4HYDROXYPHENYL)1(2METHOXYETHYL)4((4METHYLPHENYL)CARBONYL)25DIHYDRO1HPYRROL2ONE
3HYDROXY5(4HYDROXYPHENYL)1(2METHOXYETHYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC=C(C=C3)O)O
COCCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(cc1)O
InChI=1SC21H21NO5c1133515(6413)19(24)1718(147916(23)10814)22(1112272)21(26)20(17)25h310182324H1112H212H3b1917+
MFCD03810536
ZINC000102799358
ZINC000102799362

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Available files

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