Vitas-M small molecule compound

(E)-{2-(3-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STK563496
SMILES COc1cccc(c1)/C(=C\1/C(c2cccc(c2)F)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[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 C25H27FN2O5 MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O5/c1-32-20-8-3-6-18(16-20)23(29)21-22(17-5-2-7-19(26)15-17)28(25(31)24(21)30)10-4-9-27-11-13-33-14-12-27/h2-3,5-8,15-16,22,29H,4,9-14H2,1H3/b23-21+
InChIKey
DIUAHRDQOVUZBO-XTQSDGFTSA-N
Synonyms
615274-07-2
(4E)5(3FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(2(3FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
5(3FLUOROPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
615274072
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)F)O
COc1cccc(c1)C(=C1C(c2cccc(c2)F)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27FN2O5c1322083618(1620)23(29)2122(1752719(26)1517)28(25(31)24(21)30)104927111333141227h235815162229H4914H21H3b2321+
MFCD18244313
ZINC000102521006
ZINC000102521018

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Available files

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