Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STK559843
SMILES COc1cccc(c1OC)C1N(CCC[NH+]2CCOCC2)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 C28H35N3O8 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O8/c1-16-20(17(2)29-22(16)28(35)38-5)24(32)21-23(18-8-6-9-19(36-3)26(18)37-4)31(27(34)25(21)33)11-7-10-30-12-14-39-15-13-30/h6,8-9,23,29,32H,7,10-15H2,1-5H3/b24-21+InChIKey
HKQLUNSASHGGBW-DARPEHSRSA-NSynonyms
577698-48-7(E)(2(23dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
577698487
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C(=CC=C4)OC)OC)O)C)C(=O)OC
COc1cccc(c1OC)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O)
InChI=1SC28H35N3O8c11620(17(2)2922(16)28(35)385)24(32)2123(1886919(363)26(18)374)31(27(34)25(21)33)1171030121439151330h689232932H71015H215H3b2421+
METHYL4((2(23DIMETHOXYPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(23DIMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243384
ZINC000102490883
ZINC000102490892
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