Vitas-M small molecule compound

(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK584432
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)OC

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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 C29H35FN2O7 MW 542.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35FN2O7/c1-18(2)39-24-8-6-19(16-22(24)30)27(33)25-26(21-17-20(36-3)7-9-23(21)37-4)32(29(35)28(25)34)11-5-10-31-12-14-38-15-13-31/h6-9,16-18,26,33H,5,10-15H2,1-4H3/b27-25+
InChIKey
YVNFRMFNIMVNSF-IMVLJIQESA-N
Synonyms
902039-25-2
(4E)5(25DIMETHOXYPHENYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
5(25DIMETHOXYPHENYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
902039252
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=C(C=CC(=C4)OC)OC)(O))F
COc1ccc(c(c1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1)OC
InChI=1SC29H35FN2O7c118(2)39248619(1622(24)30)27(33)2526(211720(363)7923(21)374)32(29(35)28(25)34)1151031121438151331h6916182633H51015H214H3b2725+
MFCD18245748
ZINC000102596944
ZINC000102596952

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Available files

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