Vitas-M small molecule compound

4-{(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid

Catalog ID
STK561732
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCCC(=O)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 C24H25NO7 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO7/c1-14-6-8-15(9-7-14)22(28)20-21(16-10-11-17(31-2)18(13-16)32-3)25(24(30)23(20)29)12-4-5-19(26)27/h6-11,13,21,28H,4-5,12H2,1-3H3,(H,26,27)/b22-20+
InChIKey
HINRFFURXDCSFR-LSDHQDQOSA-N
Synonyms
425398-59-0
4((3E)2(34dimethoxyphenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
4(2(34DIMETHOXYPHENYL)4HYDROXY3(4METHYLBENZOYL)5OXO25DIHYDRO1HPYRROL1YL)BUTANOICACID
425398590
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC(=C(C=C3)OC)OC)O
COc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1CCCC(=O)O
InChI=1SC24H25NO7c1146815(9714)22(28)2021(16101117(312)18(1316)323)25(24(30)23(20)29)124519(26)27h611132128H4512H213H3(H2627)b2220+
MFCD03814667
ZINC000102506536
ZINC000102506541

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Available files

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