Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL044723
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)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 C26H33N3O6 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O6/c1-7-35-26(33)21-15(2)19(16(3)27-21)23(30)20-22(17-9-11-18(34-6)12-10-17)29(25(32)24(20)31)14-8-13-28(4)5/h9-12,22,27,30H,7-8,13-14H2,1-6H3/b23-20+InChIKey
YUIHYFXNNFMTIT-BSYVCWPDSA-NSynonyms
847245-13-0(E)(1(3(dimethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847245130
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)OC)(O))C
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H33N3O6c173526(33)2115(2)19(16(3)2721)23(30)2022(1791118(346)121017)29(25(32)24(20)31)1481328(4)5h912222730H781314H216H3b2320+
MFCD18248474
ZINC000102875200
ZINC000102875202
Check stock
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Check stock on Vitas-MAvailable files
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