Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK594915
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](C)C
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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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-5-7-8-15-37-22-11-9-20(18-24(22)36-6-2)27-26(29(34)30(35)32(27)14-13-31(3)4)28(33)21-10-12-23-25(19-21)39-17-16-38-23/h9-12,18-19,27,33H,5-8,13-17H2,1-4H3/b28-26+InChIKey
JNEAHWBIYPHSLW-BYCLXTJYSA-NSynonyms
620559-76-4(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)2(3ethoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1(2(dimethylazaniumyl)ethyl)2(3ethoxy4pentoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
620559764
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC30H38N2O7c157815372211920(1824(22)3662)2726(29(34)30(35)32(27)141331(3)4)28(33)2110122325(1921)3917163823h91218192733H581317H214H3b2826+
MFCD07201268
ZINC000102616287
ZINC000102616294
Check stock
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Check stock on Vitas-MAvailable files
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