Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STL150153
SMILES COc1ccc(cc1C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccccc1)/[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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-32-18-9-10-20(33-2)19(15-18)22-21(23(29)17-7-4-3-5-8-17)24(30)25(31)28(22)13-6-12-27-14-11-26-16-27/h3-5,7-11,14-16,22,29H,6,12-13H2,1-2H3/b23-21+InChIKey
MUOJQZGBVPAIDG-XTQSDGFTSA-NSynonyms
538339-68-3(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
5(25DIMETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
538339683
COC1=CC(=C(C=C1)OC)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4
COc1ccc(cc1C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccccc1)(O))OC
InChI=1SC25H25N3O5c1321891020(332)19(1518)2221(23(29)177435817)24(30)25(31)28(22)13612271411261627h3571114162229H61213H212H3b2321+
MFCD20755755
ZINC000102930219
ZINC000102930222
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