Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL148358
SMILES Brc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[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 C24H22BrN3O3 MW 480.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O3/c1-16-6-8-17(9-7-16)22(29)20-21(18-4-2-5-19(25)14-18)28(24(31)23(20)30)12-3-11-27-13-10-26-15-27/h2,4-10,13-15,21,29H,3,11-12H2,1H3/b22-20+InChIKey
GMHPKQGUFZFABX-LSDHQDQOSA-NSynonyms
(4E)5(3BROMOPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
5(3BROMOPHENYL)3HYDROXY1(3(1HIMIDAZOL1YL)PROPYL)4((4METHYLPHENYL)CARBONYL)25DIHYDRO1HPYRROL2ONE
5(3BROMOPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((4METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
Brc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Br)O
InChI=1SC24H22BrN3O3c1166817(9716)22(29)2021(1842519(25)1418)28(24(31)23(20)30)12311271310261527h241013152129H31112H21H3b2220+
MFCD20755379
ZINC000101100187
ZINC000101100189
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