Vitas-M small molecule compound
(E)-{2-(4-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK569445
SMILES CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCC[NH+]1CCOCC1)/[O-])C
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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 C27H31FN2O5 MW 482.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O5/c1-18(2)35-22-10-6-20(7-11-22)25(31)23-24(19-4-8-21(28)9-5-19)30(27(33)26(23)32)13-3-12-29-14-16-34-17-15-29/h4-11,18,24,31H,3,12-17H2,1-2H3/b25-23+InChIKey
HBLZEOZOQVLKQL-WJTDDFOZSA-NSynonyms
459183-78-9(4E)5(4FLUOROPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(4FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
459183789
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O
CC(Oc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)1CCOCC1)(O))C
InChI=1SC27H31FN2O5c118(2)352210620(71122)25(31)2324(194821(28)9519)30(27(33)26(23)32)1331229141634171529h411182431H31217H212H3b2523+
MFCD18245292
ZINC000102368786
ZINC000102368787
Check stock
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Check stock on Vitas-MAvailable files
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