Vitas-M small molecule compound

(E)-(4-ethoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK562278
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

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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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-3-17-36-23-9-5-20(6-10-23)25-24(26(31)21-7-11-22(12-8-21)35-4-2)27(32)28(33)30(25)14-13-29-15-18-34-19-16-29/h5-12,25,31H,3-4,13-19H2,1-2H3/b26-24+
InChIKey
JYCPMKNEXLFNOB-SHHOIMCASA-N
Synonyms
618081-47-3
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4ETHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)5(4PROPOXYPHENYL)3PYRROLIN2ONE
618081473
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC)O)C(=O)C(=O)N2CCN4CCOCC4
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC28H34N2O6c131736239520(61023)2524(26(31)2171122(12821)3542)27(32)28(33)30(25)141329151834191629h5122531H341319H212H3b2624+
MFCD18244013
ZINC000008920933
ZINC000008920938

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Available files

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