Vitas-M small molecule compound
(E)-(4-bromophenyl){2-(2,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560909
SMILES COc1ccc(c(c1)OC)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 C25H24BrN3O5 MW 526.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O5/c1-33-18-8-9-19(20(14-18)34-2)22-21(23(30)16-4-6-17(26)7-5-16)24(31)25(32)29(22)12-3-11-28-13-10-27-15-28/h4-10,13-15,22,30H,3,11-12H2,1-2H3/b23-21+InChIKey
NBYTUYUYZZZWTR-XTQSDGFTSA-NSynonyms
440096-95-7(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(24DIMETHOXYPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(2(24dimethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
440096957
COC1=CC(=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN4C=CN=C4)OC
COc1ccc(c(c1)OC)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC25H24BrN3O5c133188919(20(1418)342)2221(23(30)164617(26)7516)24(31)25(32)29(22)12311281310271528h41013152230H31112H212H3b2321+
MFCD18243664
ZINC000006239584
ZINC000102499941
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