Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK597993
SMILES CCCOc1ccc(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 C28H34N2O7 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O7/c1-5-13-35-20-9-7-18(16-22(20)34-6-2)25-24(27(32)28(33)30(25)12-11-29(3)4)26(31)19-8-10-21-23(17-19)37-15-14-36-21/h7-10,16-17,25,31H,5-6,11-15H2,1-4H3/b26-24+InChIKey
LFXUWQNTFHPYFW-SHHOIMCASA-NSynonyms
620559-63-9(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)2(3ethoxy4propoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1(2(dimethylazaniumyl)ethyl)2(3ethoxy4propoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
620559639
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(C)C)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC28H34N2O7c151335209718(1622(20)3462)2524(27(32)28(33)30(25)121129(3)4)26(31)198102123(1719)3715143621h71016172531H561115H214H3b2624+
MFCD07208313
ZINC000102624140
ZINC000102624148
Check stock
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