Vitas-M small molecule compound
(E)-(4-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL047255
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[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 C28H32N2O5 MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5/c1-3-16-35-23-7-4-6-22(19-23)25-24(26(31)21-10-8-20(2)9-11-21)27(32)28(33)30(25)13-5-12-29-14-17-34-18-15-29/h3-4,6-11,19,25,31H,1,5,12-18H2,2H3/b26-24+InChIKey
ZRKIGVASKVMMFI-SHHOIMCASA-NSynonyms
613220-33-0(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((4METHYLPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
613220330
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC28H32N2O5c1316352374622(1923)2524(26(31)2110820(2)91121)27(32)28(33)30(25)1351229141734181529h34611192531H151218H22H3b2624+
MFCD18249030
ZINC000101313318
ZINC000101313321
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