Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(4-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148226
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C25H26ClFN2O5 MW 488.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClFN2O5/c1-33-20-8-5-17(15-19(20)26)23(30)21-22(16-3-6-18(27)7-4-16)29(25(32)24(21)31)10-2-9-28-11-13-34-14-12-28/h3-8,15,22,30H,2,9-14H2,1H3/b23-21+InChIKey
BPOGRPWRSORVBX-XTQSDGFTSA-NSynonyms
579441-91-1(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4FLUOROPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(4FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
579441911
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O)Cl
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H26ClFN2O5c133208517(1519(20)26)23(30)2122(163618(27)7416)29(25(32)24(21)31)102928111334141228h38152230H2914H21H3b2321+
MFCD20755352
ZINC000102926321
ZINC000102926322
Check stock
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Check stock on Vitas-MAvailable files
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