Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK559803
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCCn1cc[nH+]c1)/[O-])C
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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 C26H27BrN4O5 MW 555.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN4O5/c1-4-36-26(35)21-15(2)19(16(3)29-21)23(32)20-22(17-6-8-18(27)9-7-17)31(25(34)24(20)33)12-5-11-30-13-10-28-14-30/h6-10,13-14,22,29,32H,4-5,11-12H2,1-3H3/b23-20+InChIKey
LDTFPCGWGKGHPP-BSYVCWPDSA-NSynonyms
(E)(2(4bromophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CCCn1cc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Br)O)C
ETHYL4((2(4BROMOPHENYL)4HYDROXY1(3IMIDAZOLYLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(2(4bromophenyl)1(3imidazol1ylpropyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
InChI=1SC26H27BrN4O5c143626(35)2115(2)19(16(3)2921)23(32)2022(176818(27)9717)31(25(34)24(20)33)12511301310281430h6101314222932H451112H213H3b2320+
MFCD18243371
ZINC000102490523
ZINC000102490532
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.