Vitas-M small molecule compound

(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STK559023
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc[nH+]c1)/[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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-17-7-9-18(10-8-17)22-21(23(29)19-5-3-6-20(15-19)32-2)24(30)25(31)28(22)13-4-12-27-14-11-26-16-27/h3,5-11,14-16,22,29H,4,12-13H2,1-2H3/b23-21+
InChIKey
ZGWJSHMZTUDSID-XTQSDGFTSA-N
Synonyms
609315-91-5
(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)5(4METHYLPHENYL)3PYRROLIN2ONE
609315915
CC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCCn1cc(nH+)c1)(O)
InChI=1SC25H25N3O4c1177918(10817)2221(23(29)1953620(1519)322)24(30)25(31)28(22)13412271411261627h351114162229H41213H212H3b2321+
MFCD18243172
ZINC000102484049
ZINC000102484056

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Available files

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