Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149353
SMILES Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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 C22H22BrN3O4 MW 472.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O4/c23-17-5-3-15(4-6-17)20(27)18-19(16-2-1-7-24-14-16)26(22(29)21(18)28)9-8-25-10-12-30-13-11-25/h1-7,14,19,27H,8-13H2/b20-18+InChIKey
JGLCZBUGXXSWSQ-CZIZESTLSA-NSynonyms
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(4bromophenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(4BROMOPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
4((4BROMOPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)5(3PYRIDYL)3PYRROLIN2ONE
4(4BROMOBENZOYL)3HYDROXY1(2(4MORPHOLINYL)ETHYL)5(3PYRIDINYL)15DIHYDRO2HPYRROL2ONE
Brc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CC(NH+)1CCOCC1)(O)
C1COCCN1CCN2C(C(=C(C3=CC=C(C=C3)Br)O)C(=O)C2=O)C4=CN=CC=C4
InChI=1SC22H22BrN3O4c23175315(4617)20(27)1819(16217241416)26(22(29)21(18)28)9825101230131125h17141927H813H2b2018+
MFCD20755588
ZINC000009008920
ZINC000009008921
Check stock
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Check stock on Vitas-MAvailable files
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