Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL040893
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC
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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/c1-4-16-35-22-11-8-20(9-12-22)26-25(27(32)21-10-13-23-24(19-21)37-18-17-36-23)28(33)29(34)31(26)15-7-14-30(5-2)6-3/h4,8-13,19,26,32H,1,5-7,14-18H2,2-3H3/b27-25+InChIKey
IKAMDCBJYNIGNW-IMVLJIQESA-NSynonyms
577769-37-0(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
577769370
C=CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)OCC=C
InChI=1SC29H34N2O6c1416352211820(91222)2625(27(32)2110132324(1921)3718173623)28(33)29(34)31(26)1571430(52)63h4813192632H1571418H223H3b2725+
MFCD18248068
ZINC000101294364
ZINC000101294367
Check stock
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Check stock on Vitas-MAvailable files
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