Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL046274
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[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 C25H30BrN3O5 MW 532.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrN3O5/c1-6-34-25(33)20-14(2)18(15(3)27-20)22(30)19-21(16-9-7-10-17(26)13-16)29(24(32)23(19)31)12-8-11-28(4)5/h7,9-10,13,21,27,30H,6,8,11-12H2,1-5H3/b22-19+InChIKey
AHEUNAHOFXVTIT-ZBJSNUHESA-NSynonyms
847183-64-6(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847183646
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)Br)O)C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)2(3BROMOPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(2(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H30BrN3O5c163425(33)2014(2)18(15(3)2720)22(30)1921(16971017(26)1316)29(24(32)23(19)31)1281128(4)5h791013212730H681112H215H3b2219+
MFCD18248813
ZINC000102879894
ZINC000102879898
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