Vitas-M small molecule compound

(E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate

Catalog ID
STK586785
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C32H34N2O7 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7/c1-4-38-26-18-22(10-12-25(26)41-20-21-8-6-5-7-9-21)29-28(31(36)32(37)34(29)15-14-33(2)3)30(35)23-11-13-24-27(19-23)40-17-16-39-24/h5-13,18-19,29,35H,4,14-17,20H2,1-3H3/b30-28+
InChIKey
MFWANFNFZXMBET-SJCQXOIGSA-N
Synonyms
620559-69-5
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(2(dimethylamino)ethyl)5(3ethoxy4phenylmethoxyphenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
620559695
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCN(C)C)OCC5=CC=CC=C5
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC32H34N2O7c1438261822(101225(26)4120218657921)2928(31(36)32(37)34(29)151433(2)3)30(35)2311132427(1923)4017163924h51318192935H4141720H213H3b3028+
MFCD07201628
ZINC000102600372
ZINC000102600377

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Available files

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