Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL052183
SMILES CCCOc1ccc(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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/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/h8-13,19,26,32H,4-7,14-18H2,1-3H3/b27-25+InChIKey
JIHYSLVRWJKTHJ-IMVLJIQESA-NSynonyms
573939-45-4(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
573939454
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC29H36N2O6c1416352211820(91222)2625(27(32)2110132324(1921)3718173623)28(33)29(34)31(26)1571430(52)63h813192632H471418H213H3b2725+
MFCD18249444
ZINC000102889480
ZINC000102889481
Check stock
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Check stock on Vitas-MAvailable files
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