Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL150190
SMILES CCCCCOc1ccc(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 C33H44N2O6 MW 564.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O6/c1-6-10-11-18-40-27-15-12-23(21-28(27)39-9-4)30-29(32(37)33(38)35(30)17-16-34(7-2)8-3)31(36)24-13-14-26-25(20-24)19-22(5)41-26/h12-15,20-22,30,36H,6-11,16-19H2,1-5H3/b31-29+InChIKey
DTPSIPVUOZKTLF-OWWNRXNESA-NSynonyms
(4E)1(2(diethylamino)ethyl)5(3ethoxy4pentoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(2DIETHYLAMINOETHYL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3ethoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3ETHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN(CC)CC)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC33H44N2O6c161011184027151223(2128(27)3994)3029(32(37)33(38)35(30)171634(72)83)31(36)2413142625(2024)1922(5)4126h121520223036H6111619H215H3b3129+
MFCD20755764
ZINC000102930373
ZINC000102930380
Check stock
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Check stock on Vitas-MAvailable files
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