Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL040289
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[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/c1-4-28(5-2)15-10-16-29-23(18-11-7-6-8-12-18)22(25(31)27(29)32)24(30)21-17-19-13-9-14-20(33-3)26(19)34-21/h6-9,11-14,17,23,30H,4-5,10,15-16H2,1-3H3/b24-22+InChIKey
GPBUUFCGXPQCNR-ZNTNEXAZSA-NSynonyms
(E)(1(3(diethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)(CC)CC)(O)
MFCD18248001
ZINC000009008611
ZINC000009073273
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