Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{1-[3-(diethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL047500
SMILES COc1cccc(c1)C1N(CCC[NH+](CC)CC)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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-4-28(5-2)14-9-15-29-24(19-11-8-12-20(16-19)33-3)23(26(31)27(29)32)25(30)22-17-18-10-6-7-13-21(18)34-22/h6-8,10-13,16-17,24,30H,4-5,9,14-15H2,1-3H3/b25-23+InChIKey
HCEMHEYMJPHYTM-WJTDDFOZSA-NSynonyms
(E)1benzofuran2yl(1(3(diethylammonio)propyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
COc1cccc(c1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD18249084
ZINC000102882974
ZINC000102882976
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