Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK561065
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C23H27N3O4 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4/c1-15-14-17(6-7-18(15)30-4)21(27)19-20(16-8-10-24-11-9-16)26(23(29)22(19)28)13-5-12-25(2)3/h6-11,14,20,27H,5,12-13H2,1-4H3/b21-19+InChIKey
HKTFFQFKCPTQOO-XUTLUUPISA-NSynonyms
460045-56-1(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)5(4PYRIDYL)3PYRROLIN2ONE
460045561
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=NC=C3)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC23H27N3O4c1151417(6718(15)304)21(27)1920(168102411916)26(23(29)22(19)28)1351225(2)3h611142027H51213H214H3b2119+
MFCD18243705
ZINC000102501398
ZINC000102501409
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.