Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK582478
SMILES COc1c(OC)cccc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)F)OC(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 C29H35FN2O7 MW 542.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35FN2O7/c1-18(2)39-22-10-9-19(17-21(22)30)26(33)24-25(20-7-5-8-23(36-3)28(20)37-4)32(29(35)27(24)34)12-6-11-31-13-15-38-16-14-31/h5,7-10,17-18,25,33H,6,11-16H2,1-4H3/b26-24+InChIKey
ADBFOSGBRSRTFX-SHHOIMCASA-NSynonyms
902336-32-7(4E)5(23DIMETHOXYPHENYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
5(23DIMETHOXYPHENYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
902336327
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C(=CC=C4)OC)OC)O)F
COc1c(OC)cccc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)F)OC(C)C)(O)
InChI=1SC29H35FN2O7c118(2)392210919(1721(22)30)26(33)2425(2075823(363)28(20)374)32(29(35)27(24)34)1261131131538161431h571017182533H61116H214H3b2624+
MFCD18245695
ZINC000102593381
ZINC000102593387
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