Vitas-M small molecule compound
(E)-(3,4-dimethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL043353
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CCC[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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-32-19-5-4-18(16-20(19)33-2)23(29)21-22(17-6-8-26-9-7-17)28(25(31)24(21)30)11-3-10-27-12-14-34-15-13-27/h4-9,16,22,29H,3,10-15H2,1-2H3/b23-21+InChIKey
GKQKCDBZFAWSIF-XTQSDGFTSA-NSynonyms
615276-85-2(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(4PYRIDYL)3PYRROLIN2ONE
615276852
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=NC=C4)(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H29N3O6c132195418(1620(19)332)23(29)2122(1768269717)28(25(31)24(21)30)1131027121434151327h49162229H31015H212H3b2321+
MFCD18248200
ZINC000102873184
ZINC000102873185
Check stock
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Check stock on Vitas-MAvailable files
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