Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL047364
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCCn1cc[nH+]c1)/[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 C24H22BrN3O4 MW 496.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3O4/c1-32-19-8-3-6-17(14-19)22(29)20-21(16-5-2-7-18(25)13-16)28(24(31)23(20)30)11-4-10-27-12-9-26-15-27/h2-3,5-9,12-15,21,29H,4,10-11H2,1H3/b22-20+InChIKey
KNMNPFUFZVCUCN-LSDHQDQOSA-NSynonyms
609315-99-3(4E)5(3BROMOPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
5(3BROMOPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
609315993
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)Br)O
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCCn1cc(nH+)c1)(O)
InChI=1SC24H22BrN3O4c1321983617(1419)22(29)2021(1652718(25)1316)28(24(31)23(20)30)1141027129261527h235912152129H41011H21H3b2220+
MFCD18249054
ZINC000102882656
ZINC000102882659
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