Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL147744
SMILES COc1cccc(c1)C1N(CCC[NH+]2CCOCC2)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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-33-20-8-4-7-19(16-20)24-23(25(30)22-17-18-6-2-3-9-21(18)35-22)26(31)27(32)29(24)11-5-10-28-12-14-34-15-13-28/h2-4,6-9,16-17,24,30H,5,10-15H2,1H3/b25-23+InChIKey
MRHHBQWHBSXOEX-WJTDDFOZSA-NSynonyms
(E)1benzofuran2yl(2(3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1cccc(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD20755253
ZINC000009236576
ZINC000009236581
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