Vitas-M small molecule compound

methyl 4-{(3E)-1-(2-hydroxyethyl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STK609508
SMILES OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/O)/C1c1ccc(cc1)C(=O)OC

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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 C22H21NO7 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO7/c1-29-16-9-7-14(8-10-16)19(25)17-18(23(11-12-24)21(27)20(17)26)13-3-5-15(6-4-13)22(28)30-2/h3-10,18,24-25H,11-12H2,1-2H3/b19-17+
InChIKey
OMMLTKZFOMCMBB-HTXNQAPBSA-N
Synonyms
898520-44-0
898520440
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCO)C3=CC=C(C=C3)C(=O)OC)O
InChI=1SC22H21NO7c129169714(81016)19(25)1718(23(111224)21(27)20(17)26)133515(6413)22(28)302h310182425H1112H212H3b1917+
methyl4((3E)1(2hydroxyethyl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD08734951
OCCN1C(=O)C(=O)C(=C(c2ccc(cc2)OC)O)C1c1ccc(cc1)C(=O)OC
ZINC000102705974
ZINC000102705976

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Available files

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