Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL043958
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2oc3c(c2)cccc3OC)/[O-])/C1c1ccc(cc1)C(=O)OC)CC
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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/c1-5-29(6-2)14-15-30-23(17-10-12-18(13-11-17)28(34)36-4)22(25(32)27(30)33)24(31)21-16-19-8-7-9-20(35-3)26(19)37-21/h7-13,16,23,31H,5-6,14-15H2,1-4H3/b24-22+InChIKey
PRDXFGDHCTWQQQ-ZNTNEXAZSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2oc3c(c2)cccc3OC)(O))C1c1ccc(cc1)C(=O)OC)CC
MFCD18248323
ZINC000009008408
ZINC000009070687
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