Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK565950
SMILES C=CCOc1cccc(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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/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/h3-4,6-12,15,17-18,24,31H,1,5,13-14,16H2,2H3/b25-23+InChIKey
AMKHLFHRBMPLCB-WJTDDFOZSA-NSynonyms
614747-72-7(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4((4METHOXYPHENYL)CARBONYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
614747727
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)OCC=C)O
InChI=1SC27H27N3O5c1316352274620(1722)2423(25(31)1981021(342)11919)26(32)27(33)30(24)14513291512281829h346121517182431H15131416H22H3b2523+
MFCD18244906
ZINC000101313501
ZINC000101313506
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