Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL039954
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+](C)C)/[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 C26H30N2O4 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O4/c1-5-17-32-21-13-11-20(12-14-21)24(29)22-23(19-9-7-18(2)8-10-19)28(26(31)25(22)30)16-6-15-27(3)4/h5,7-14,23,29H,1,6,15-17H2,2-4H3/b24-22+InChIKey
XEFBMOBEGUPPQZ-ZNTNEXAZSA-NSynonyms
613220-16-9(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHYLPHENYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
4(4(ALLYLOXY)BENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHYLPHENYL)15DIHYDRO2HPYRROL2ONE
613220169
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(C)C)(O)
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CCCN(C)C
InChI=1SC26H30N2O4c15173221131120(121421)24(29)2223(199718(2)81019)28(26(31)25(22)30)1661527(3)4h57142329H161517H224H3b2422+
MFCD18247924
ZINC000008901106
ZINC000101287307
Check stock
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Check stock on Vitas-MAvailable files
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