Vitas-M small molecule compound
(E)-(7-methoxy-1-benzofuran-2-yl){2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK559040
SMILES COc1cccc(c1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-34-20-8-3-6-18(16-20)24-23(25(31)22-17-19-7-4-9-21(35-2)27(19)37-22)26(32)28(33)30(24)11-5-10-29-12-14-36-15-13-29/h3-4,6-9,16-17,24,31H,5,10-15H2,1-2H3/b25-23+InChIKey
ORLLATKIKYWREX-WJTDDFOZSA-NSynonyms
(E)(7methoxy1benzofuran2yl)(2(3methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
COc1cccc(c1)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD18243177
ZINC000009041710
ZINC000009135572
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