Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate

Catalog ID
STK565642
SMILES CCOc1ccc(cc1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CCC[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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-5-34-19-12-10-17(11-13-19)23-22(25(31)27(32)29(23)15-7-14-28(2)3)24(30)21-16-18-8-6-9-20(33-4)26(18)35-21/h6,8-13,16,23,30H,5,7,14-15H2,1-4H3/b24-22+
InChIKey
TYEVOIJHLLYPOE-ZNTNEXAZSA-N
Synonyms

(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
CCOc1ccc(cc1)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)(C)C
MFCD18244839
ZINC000009339614
ZINC000009339615

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.