Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL039597
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]
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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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-28(2)11-8-12-29-23(17-14-20(33-3)26(35-5)21(15-17)34-4)22(25(31)27(29)32)24(30)19-13-16-9-6-7-10-18(16)36-19/h6-7,9-10,13-15,23,30H,8,11-12H2,1-5H3/b24-22+InChIKey
CJAJROGTICOMQT-ZNTNEXAZSA-NSynonyms
(E)1benzofuran2yl(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18247861
ZINC000009041671
ZINC000009122818
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