Vitas-M small molecule compound

(E)-{2-(3-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STL044778
SMILES CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-3-36-23-7-4-6-20(18-23)26-25(27(32)21-8-9-24-22(17-21)16-19(2)37-24)28(33)29(34)31(26)11-5-10-30-12-14-35-15-13-30/h4,6-9,17-19,26,32H,3,5,10-16H2,1-2H3/b27-25+
InChIKey
LFMFDUAIARSFND-IMVLJIQESA-N
Synonyms
840496-82-4
(4E)5(3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
840496824
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN5CCOCC5
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H34N2O6c13362374620(1823)2625(27(32)21892422(1721)1619(2)3724)28(33)29(34)31(26)1151030121435151330h46917192632H351016H212H3b2725+
MFCD18248481
ZINC000102880077
ZINC000102880086

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Available files

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