Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL038579
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)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 C23H29N3O6 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O6/c1-12-8-9-15(32-12)19-17(21(28)22(29)26(19)11-7-10-25(4)5)20(27)16-13(2)18(23(30)31-6)24-14(16)3/h8-9,19,24,27H,7,10-11H2,1-6H3/b20-17+InChIKey
QRXFQFMNOWQLFJ-LVZFUZTISA-NSynonyms
843623-06-3(E)(1(3(dimethylammonio)propyl)2(5methylfuran2yl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
843623063
CC1=CC=C(O1)C2C(=C(C3=C(NC(=C3C)C(=O)OC)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(o1)C)CCC(NH+)(C)C)(O))C
InChI=1SC23H29N3O6c1128915(3212)1917(21(28)22(29)26(19)1171025(4)5)20(27)1613(2)18(23(30)316)2414(16)3h89192427H71011H216H3b2017+
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)2(5METHYLFURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247659
ZINC000102861862
ZINC000102861866
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.