Vitas-M small molecule compound
(E)-(4-ethoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149616
SMILES C=CCOc1cccc(c1)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 C28H32N2O6 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O6/c1-3-16-36-23-7-5-6-21(19-23)25-24(26(31)20-8-10-22(11-9-20)35-4-2)27(32)28(33)30(25)13-12-29-14-17-34-18-15-29/h3,5-11,19,25,31H,1,4,12-18H2,2H3/b26-24+InChIKey
PYSMPPRKEOFMIO-SHHOIMCASA-NSynonyms
620122-98-7(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(4Z)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4ETHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
620122987
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC28H32N2O6c1316362375621(1923)2524(26(31)2081022(11920)3542)27(32)28(33)30(25)131229141734181529h3511192531H141218H22H3b2624+
MFCD20755639
ZINC000101313577
ZINC000101313579
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