Vitas-M small molecule compound
(E)-(4-fluorophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562222
SMILES COc1c(OC)cc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[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 C26H29FN2O7 MW 500.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O7/c1-33-19-14-17(15-20(34-2)25(19)35-3)22-21(23(30)16-4-6-18(27)7-5-16)24(31)26(32)29(22)9-8-28-10-12-36-13-11-28/h4-7,14-15,22,30H,8-13H2,1-3H3/b23-21+InChIKey
RCDIUFKAHONCAL-XTQSDGFTSA-NSynonyms
384802-77-1(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4FLUOROPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
384802771
COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCN4CCOCC4
COc1c(OC)cc(cc1OC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC26H29FN2O7c133191417(1520(342)25(19)353)2221(23(30)164618(27)7516)24(31)26(32)29(22)9828101236131128h4714152230H813H213H3b2321+
MFCD18243995
ZINC000009178690
ZINC000102510670
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.