Vitas-M small molecule compound
(E)-1-benzofuran-2-yl{2-(3,4-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148630
SMILES COc1cc(ccc1OC)C1N(CC[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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-33-20-8-7-18(16-21(20)34-2)24-23(25(30)22-15-17-5-3-4-6-19(17)36-22)26(31)27(32)29(24)10-9-28-11-13-35-14-12-28/h3-8,15-16,24,30H,9-14H2,1-2H3/b25-23+InChIKey
PXHUAZYDLNFMSR-WJTDDFOZSA-NSynonyms
(E)1benzofuran2yl(2(34dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
COc1cc(ccc1OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)cccc2)(O)
MFCD20755435
ZINC000009301991
ZINC000009339532
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