Vitas-M small molecule compound
(E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-(2-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK596846
SMILES COc1ccccc1C1/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 C27H31FN2O6 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O6/c1-17(2)36-22-9-8-18(16-20(22)28)25(31)23-24(19-6-4-5-7-21(19)34-3)30(27(33)26(23)32)11-10-29-12-14-35-15-13-29/h4-9,16-17,24,31H,10-15H2,1-3H3/b25-23+InChIKey
KVVGTWKLZMPDRJ-WJTDDFOZSA-NSynonyms
902039-89-8(4E)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5(2METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(3fluoro4(propan2yloxy)phenyl)(2(2methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3FLUORO4PROPAN2YLOXYPHENYL)(2(2METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
902039898
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=CC=C4OC)(O))F
COc1ccccc1C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H31FN2O6c117(2)36229818(1620(22)28)25(31)2324(19645721(19)343)30(27(33)26(23)32)111029121435151329h4916172431H1015H213H3b2523+
MFCD18246058
ZINC000102621887
ZINC000102621892
Check stock
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Check stock on Vitas-MAvailable files
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