Vitas-M small molecule compound
(E)-{2-(2,5-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
STL046974
SMILES COc1ccc(c(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC
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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/c1-16-21(17(2)29-23(16)28(35)38-5)25(32)22-24(19-15-18(36-3)7-8-20(19)37-4)31(27(34)26(22)33)10-6-9-30-11-13-39-14-12-30/h7-8,15,24,29,32H,6,9-14H2,1-5H3/b25-22+InChIKey
BDUVGIAOYSUKEN-YYDJUVGSSA-NSynonyms
638134-95-9(E)(2(25dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
638134959
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=C(C=CC(=C4)OC)OC)(O))C)C(=O)OC
COc1ccc(c(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O))OC
InChI=1SC28H35N3O8c11621(17(2)2923(16)28(35)385)25(32)2224(191518(363)7820(19)374)31(27(34)26(22)33)106930111339141230h7815242932H6914H215H3b2522+
METHYL4((2(25DIMETHOXYPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248968
ZINC000102882143
ZINC000102882144
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