Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL046659
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C28H32N2O5 MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5/c1-5-29(6-2)15-8-16-30-24(19-13-11-18(3)12-14-19)23(26(32)28(30)33)25(31)22-17-20-9-7-10-21(34-4)27(20)35-22/h7,9-14,17,24,31H,5-6,8,15-16H2,1-4H3/b25-23+InChIKey
RIVKQTBPMLYGPD-WJTDDFOZSA-NSynonyms
(E)(1(3(diethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(CC)CC)(O)
MFCD18248901
ZINC000009301966
ZINC000009301967
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