Vitas-M small molecule compound

(E)-(4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STK563160
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\[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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-3-18-36-23-10-6-20(7-11-23)25-24(26(32)21-8-12-22(13-9-21)35-4-2)27(33)28(34)31(25)16-5-15-30-17-14-29-19-30/h3,6-14,17,19,25,32H,1,4-5,15-16,18H2,2H3/b26-24+
InChIKey
UBNOHTNURPJPRQ-SHHOIMCASA-N
Synonyms
636989-12-3
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
636989123
C=CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OCC=C)O
InChI=1SC28H29N3O5c1318362310620(71123)2524(26(32)2181222(13921)3542)27(33)28(34)31(25)16515301714291930h361417192532H145151618H22H3b2624+
MFCD18244226
ZINC000101294101
ZINC000101294104

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Available files

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