Vitas-M small molecule compound

(E)-(4-bromophenyl){2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL045156
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Br)\[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 C25H24BrN3O4 MW 510.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O4/c1-2-33-20-10-6-17(7-11-20)22-21(23(30)18-4-8-19(26)9-5-18)24(31)25(32)29(22)14-3-13-28-15-12-27-16-28/h4-12,15-16,22,30H,2-3,13-14H2,1H3/b23-21+
InChIKey
SHPUCVHFAYVULG-XTQSDGFTSA-N
Synonyms
440096-98-0
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(2(4ethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4((4BROMOPHENYL)CARBONYL)5(4ETHOXYPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
440096980
CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC25H24BrN3O4c12332010617(71120)2221(23(30)184819(26)9518)24(31)25(32)29(22)14313281512271628h41215162230H231314H21H3b2321+
MFCD18248576
ZINC000102876564
ZINC000102876566

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Available files

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