Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STK559710
SMILES C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C31H38N2O6 MW 534.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N2O6/c1-6-16-38-25-13-10-21(19-26(25)37-9-4)28-27(30(35)31(36)33(28)15-14-32(7-2)8-3)29(34)22-11-12-24-23(18-22)17-20(5)39-24/h6,10-13,18-20,28,34H,1,7-9,14-17H2,2-5H3/b29-27+
InChIKey
NMUXDOHEDRGMGR-ORIPQNMZSA-N
Synonyms
846025-62-5
(4E)1(2DIETHYLAMINOETHYL)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3ethoxy4(prop2en1yloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3ETHOXY4PROP2ENOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
846025625
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C=C4)OCC=C)OCC
InChI=1SC31H38N2O6c16163825131021(1926(25)3794)2827(30(35)31(36)33(28)151432(72)83)29(34)2211122423(1822)1720(5)3924h6101318202834H1791417H225H3b2927+
MFCD18243341
ZINC000009312233
ZINC000009312236

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Available files

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