Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STK565834
SMILES COc1cccc(c1OC)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 C29H32N2O8 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O8/c1-35-20-9-4-7-18-17-22(39-27(18)20)25(32)23-24(19-8-5-10-21(36-2)28(19)37-3)31(29(34)26(23)33)12-6-11-30-13-15-38-16-14-30/h4-5,7-10,17,24,32H,6,11-16H2,1-3H3/b25-23+InChIKey
VJHLPAUMJHPZMD-WJTDDFOZSA-NSynonyms
(E)(2(23dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc(c1OC)C1C(=C(c2oc3c(c2)cccc3OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD18244880
ZINC000102537714
ZINC000102537723
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