Vitas-M small molecule compound

(E)-{1-[3-(diethylammonio)propyl]-2-[3-methoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Catalog ID
STK563276
SMILES CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[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 C33H44N2O6 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O6/c1-6-9-10-18-40-27-15-12-23(21-28(27)39-5)30-29(31(36)24-13-14-26-25(20-24)19-22(4)41-26)32(37)33(38)35(30)17-11-16-34(7-2)8-3/h12-15,20-22,30,36H,6-11,16-19H2,1-5H3/b31-29+
InChIKey
GXMXJFICELSBSX-OWWNRXNESA-N
Synonyms

(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3METHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3methoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3METHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(CC)CC)OC
CCCCCOc1ccc(cc1OC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC33H44N2O6c16910184027151223(2128(27)395)3029(31(36)2413142625(2024)1922(4)4126)32(37)33(38)35(30)17111634(72)83h121520223036H6111619H215H3b3129+
MFCD18244255
ZINC000102519189
ZINC000102646618

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Available files

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