Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK560956
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[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 C27H29N3O5 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5/c1-3-16-35-22-7-4-6-20(17-22)24-23(25(31)19-8-10-21(34-2)11-9-19)26(32)27(33)30(24)14-5-13-29-15-12-28-18-29/h4,6-12,15,17-18,24,31H,3,5,13-14,16H2,1-2H3/b25-23+InChIKey
IYKKUVSQCIGEEP-WJTDDFOZSA-NSynonyms
620147-16-2(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((4METHOXYPHENYL)CARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
620147162
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)OC)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC27H29N3O5c1316352274620(1722)2423(25(31)1981021(342)11919)26(32)27(33)30(24)14513291512281829h46121517182431H35131416H212H3b2523+
MFCD18243672
ZINC000102500363
ZINC000102500372
Check stock
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Check stock on Vitas-MAvailable files
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