Vitas-M small molecule compound
(E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK572618
SMILES COc1cccc(c1)C1N(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 C28H33FN2O6 MW 512.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33FN2O6/c1-18(2)37-23-9-8-20(17-22(23)29)26(32)24-25(19-6-4-7-21(16-19)35-3)31(28(34)27(24)33)11-5-10-30-12-14-36-15-13-30/h4,6-9,16-18,25,32H,5,10-15H2,1-3H3/b26-24+InChIKey
GDKVWSVUGBRGFL-SHHOIMCASA-NSynonyms
902309-77-7(4E)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5(3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3fluoro4(propan2yloxy)phenyl)(2(3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3FLUORO4PROPAN2YLOXYPHENYL)(2(3METHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY5(3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
902309777
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)OC)O)F
COc1cccc(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)F)OC(C)C)(O)
InChI=1SC28H33FN2O6c118(2)37239820(1722(23)29)26(32)2425(1964721(1619)353)31(28(34)27(24)33)1151030121436151330h46916182532H51015H213H3b2624+
MFCD18245450
ZINC000102569616
ZINC000102569624
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