Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Catalog ID
STL037834
SMILES COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)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 C31H38N2O5 MW 518.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O5/c1-7-32(8-2)17-10-18-33-26(20-13-15-22(16-14-20)31(3,4)5)25(28(35)30(33)36)27(34)24-19-21-11-9-12-23(37-6)29(21)38-24/h9,11-16,19,26,34H,7-8,10,17-18H2,1-6H3/b27-25+InChIKey
PJPNYKGQEKNGEQ-IMVLJIQESA-NSynonyms
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(7methoxy1benzofuran2yl)methanolate
COc1cccc2c1oc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(CC)CC)(O)
MFCD18247502
ZINC000009065208
ZINC000009065210
Check stock
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