Vitas-M small molecule compound
(E)-(4-fluorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL037416
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C27H28FN3O5 MW 493.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O5/c1-3-15-36-21-10-7-19(16-22(21)35-2)24-23(25(32)18-5-8-20(28)9-6-18)26(33)27(34)31(24)13-4-12-30-14-11-29-17-30/h5-11,14,16-17,24,32H,3-4,12-13,15H2,1-2H3/b25-23+InChIKey
NIRFZILRJHQHKX-WJTDDFOZSA-NSynonyms
(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3METHOXY4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(1(3(1Himidazol3ium1yl)propyl)2(3methoxy4propoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(3METHOXY4PROPOXYPHENYL)3PYRROLIN2ONE
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN4C=CN=C4)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC27H28FN3O5c1315362110719(1622(21)352)2423(25(32)185820(28)9618)26(33)27(34)31(24)13412301411291730h5111416172432H34121315H212H3b2523+
MFCD18247424
ZINC000102858999
ZINC000102859002
Check stock
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Check stock on Vitas-MAvailable files
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