Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL038356
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[NH+](CC)CC)/[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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-5-28(6-2)14-15-29-23(18-12-10-17(3)11-13-18)22(25(31)27(29)32)24(30)21-16-19-8-7-9-20(33-4)26(19)34-21/h7-13,16,23,30H,5-6,14-15H2,1-4H3/b24-22+InChIKey
YHLXTRDNBINBFY-ZNTNEXAZSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)(CC)CC)(O)
MFCD18247607
ZINC000102861608
ZINC000102861609
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