Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL148889
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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/c1-17-4-6-19(7-5-17)23(29)21-22(18-8-10-20(32-2)11-9-18)28(25(31)24(21)30)14-3-13-27-15-12-26-16-27/h4-12,15-16,22,29H,3,13-14H2,1-2H3/b23-21+InChIKey
AGZLUNSGJXDRKK-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)5(4METHOXYPHENYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OC)O
COc1ccc(cc1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC25H25N3O4c1174619(7517)23(29)2122(1881020(322)11918)28(25(31)24(21)30)14313271512261627h41215162229H31314H212H3b2321+
MFCD20755493
ZINC000102931684
ZINC000102931685
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