Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK566984
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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 C29H34N2O7 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O7/c1-2-3-13-36-22-6-4-5-20(18-22)26-25(27(32)21-7-8-23-24(19-21)38-17-16-37-23)28(33)29(34)31(26)10-9-30-11-14-35-15-12-30/h4-8,18-19,26,32H,2-3,9-17H2,1H3/b27-25+InChIKey
YECPICYZGRSIIY-IMVLJIQESA-NSynonyms
620560-63-6(E)(2(3butoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BUTOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
620560636
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC29H34N2O7c12313362264520(1822)2625(27(32)21782324(1921)3817163723)28(33)29(34)31(26)10930111435151230h4818192632H23917H21H3b2725+
MFCD18245124
ZINC000100559630
ZINC000100559633
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