Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK596836
SMILES COc1cccc(c1OC)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[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 C28H33FN2O7 MW 528.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33FN2O7/c1-17(2)38-21-9-8-18(16-20(21)29)25(32)23-24(19-6-5-7-22(35-3)27(19)36-4)31(28(34)26(23)33)11-10-30-12-14-37-15-13-30/h5-9,16-17,24,32H,10-15H2,1-4H3/b25-23+InChIKey
DQJLCENSMTWDIC-WJTDDFOZSA-NSynonyms
902038-24-8(4E)5(23DIMETHOXYPHENYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
5(23DIMETHOXYPHENYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
902038248
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=C(C(=CC=C4)OC)OC)(O))F
COc1cccc(c1OC)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC28H33FN2O7c117(2)38219818(1620(21)29)25(32)2324(1965722(353)27(19)364)31(28(34)26(23)33)111030121437151330h5916172432H1015H214H3b2523+
MFCD18246057
ZINC000102621834
ZINC000102621842
Check stock
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