Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK568625
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](C)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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-19(2)11-14-35-22-8-5-7-20(17-22)26-25(28(33)29(34)31(26)13-6-12-30(3)4)27(32)21-9-10-23-24(18-21)37-16-15-36-23/h5,7-10,17-19,26,32H,6,11-16H2,1-4H3/b27-25+
InChIKey
RPZNIMWUXFOOBV-IMVLJIQESA-N
Synonyms
573938-79-1
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)2(3(3methylbutoxy)phenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3(3METHYLBUTOXY)PHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
573938791
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(C)C
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C)C
InChI=1SC29H36N2O6c119(2)1114352285720(1722)2625(28(33)29(34)31(26)1361230(3)4)27(32)219102324(1821)3716153623h571017192632H61116H214H3b2725+
MFCD18245239
ZINC000102076836
ZINC000102076843

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Available files

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