Vitas-M small molecule compound
(E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(phenyl)methanolate
Catalog ID
STK565298
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccccc2)\[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 C26H27N3O4 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O4/c1-2-16-33-21-11-6-10-20(17-21)23-22(24(30)19-8-4-3-5-9-19)25(31)26(32)29(23)14-7-13-28-15-12-27-18-28/h3-6,8-12,15,17-18,23,30H,2,7,13-14,16H2,1H3/b24-22+InChIKey
HPFZKBRSUUSLRX-ZNTNEXAZSA-NSynonyms
613220-30-7(4E)4(HYDROXY(PHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(phenyl)methanolate
3HYDROXY1(3IMIDAZOLYLPROPYL)4(PHENYLCARBONYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
613220307
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1cccc(c1)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H27N3O4c121633211161020(1721)2322(24(30)198435919)25(31)26(32)29(23)14713281512271828h368121517182330H27131416H21H3b2422+
MFCD18244742
ZINC000102534084
ZINC000102534089
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