Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK570147
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[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/c1-4-7-15-35-22-10-8-9-20(18-22)26-25(28(33)29(34)31(26)14-13-30(5-2)6-3)27(32)21-11-12-23-24(19-21)37-17-16-36-23/h8-12,18-19,26,32H,4-7,13-17H2,1-3H3/b27-25+InChIKey
OLHLDMQOASHVLC-IMVLJIQESA-NSynonyms
585557-03-5(4E)5(3BUTOXYPHENYL)1(2DIETHYLAMINOETHYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3butoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BUTOXYPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
585557035
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC29H36N2O6c147153522108920(1822)2625(28(33)29(34)31(26)141330(52)63)27(32)2111122324(1921)3717163623h81218192632H471317H213H3b2725+
MFCD18245340
ZINC000009460792
ZINC000009460793
Check stock
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Check stock on Vitas-MAvailable files
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