Vitas-M small molecule compound
(E)-(7-methoxy-1-benzofuran-2-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045586
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)c(OC)ccc2)/[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 C29H32N2O9 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O9/c1-35-19-7-5-6-17-14-20(40-27(17)19)25(32)23-24(18-15-21(36-2)28(38-4)22(16-18)37-3)31(29(34)26(23)33)9-8-30-10-12-39-13-11-30/h5-7,14-16,24,32H,8-13H2,1-4H3/b25-23+InChIKey
CONRYZSNKQLXIJ-WJTDDFOZSA-NSynonyms
(E)(7methoxy1benzofuran2yl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
COc1cc(cc(c1OC)OC)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cc2c(o1)c(OC)ccc2)(O)
MFCD18248666
ZINC000102878950
ZINC000102878953
Check stock
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Check stock on Vitas-MAvailable files
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