Vitas-M small molecule compound

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

Catalog ID
STK565748
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CC[NH+]1CCOCC1)/[O-]

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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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-3-16-35-20-10-8-19(9-11-20)25(30)23-24(21-6-4-5-7-22(21)33-2)29(27(32)26(23)31)13-12-28-14-17-34-18-15-28/h4-11,24,30H,3,12-18H2,1-2H3/b25-23+
InChIKey
GABLACWXQWCHMX-WJTDDFOZSA-N
Synonyms
615276-35-2
(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(2methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(2METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
3HYDROXY5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276352
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=CC=C4OC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)CC(NH+)1CCOCC1)(O)
InChI=1SC27H32N2O6c1316352010819(91120)25(30)2324(21645722(21)332)29(27(32)26(23)31)131228141734181528h4112430H31218H212H3b2523+
MFCD18244863
ZINC000102537135
ZINC000102537145

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Available files

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