Vitas-M small molecule compound

(E)-{2-(2-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate

Catalog ID
STK564901
SMILES CCOc1ccccc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/[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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-36-23-9-6-5-8-22(23)25-24(26(31)21-11-10-20(34-3)18-19(21)2)27(32)28(33)30(25)13-7-12-29-14-16-35-17-15-29/h5-6,8-11,18,25,31H,4,7,12-17H2,1-3H3/b26-24+
InChIKey
QXXKTPPLZBVWAK-SHHOIMCASA-N
Synonyms
371120-56-8
(4E)5(2ETHOXYPHENYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(2ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(2ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
371120568
5(2ETHOXYPHENYL)3HYDROXY4((4METHOXY2METHYLPHENYL)CARBONYL)1(3(MORPHOLIN4YL)PROPYL)25DIHYDRO1HPYRROL2ONE
CCOC1=CC=CC=C1C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2CCCN4CCOCC4
CCOc1ccccc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)(O)
InChI=1SC28H34N2O6c143623965822(23)2524(26(31)21111020(343)1819(21)2)27(32)28(33)30(25)1371229141635171529h56811182531H471217H213H3b2624+
MFCD18244645
ZINC000102531289
ZINC000102531298

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Available files

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