Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL534950
SMILES COc1ccccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]
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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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-14-18(15(2)26-20(14)25(32)34-6)22(29)19-21(16-10-7-8-11-17(16)33-5)28(24(31)23(19)30)13-9-12-27(3)4/h7-8,10-11,21,26,29H,9,12-13H2,1-6H3/b22-19+InChIKey
ZAXYJMUGFDYMOA-ZBJSNUHESA-NSynonyms
858758-59-5(~(E))(1(3(dimethylazaniumyl)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(5methoxycarbonyl24dimethyl1~(H)pyrrol3yl)methanolate
(E)(1(3(dimethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
6143239
858758595
InChI=1SC25H31N3O6c11418(15(2)2620(14)25(32)346)22(29)1921(1610781117(16)335)28(24(31)23(19)30)1391227(3)4h781011212629H91213H216H3b2219+
MFCD31754025
ZINC000103596092
ZINC000103596099
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