Vitas-M small molecule compound
(E)-(4-bromophenyl){2-(2,4-dichlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK565187
SMILES Clc1ccc(c(c1)Cl)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 C23H18BrCl2N3O3 MW 535.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrCl2N3O3/c24-15-4-2-14(3-5-15)21(30)19-20(17-7-6-16(25)12-18(17)26)29(23(32)22(19)31)10-1-9-28-11-8-27-13-28/h2-8,11-13,20,30H,1,9-10H2/b21-19+InChIKey
ZRBSFDMRVFWRQF-XUTLUUPISA-NSynonyms
499117-31-6(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(24DICHLOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(2(24dichlorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
499117316
C1=CC(=CC=C1C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)O)Br
Clc1ccc(c(c1)Cl)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC23H18BrCl2N3O3c24154214(3515)21(30)1920(177616(25)1218(17)26)29(23(32)22(19)31)101928118271328h2811132030H1910H2b2119+
MFCD18244710
ZINC000102533168
ZINC000102533173
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