Vitas-M small molecule compound
(E)-{2-(4-butoxy-3-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK564297
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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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 C33H42N2O7 MW 578.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O7/c1-4-6-16-41-27-11-8-23(21-28(27)40-5-2)30-29(31(36)24-9-10-26-25(20-24)19-22(3)42-26)32(37)33(38)35(30)13-7-12-34-14-17-39-18-15-34/h8-11,20-22,30,36H,4-7,12-19H2,1-3H3/b31-29+InChIKey
LOXHDCRLGKEFRN-OWWNRXNESA-NSynonyms
(4E)5(4BUTOXY3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4butoxy3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4BUTOXY3ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC33H42N2O7c14616412711823(2128(27)4052)3029(31(36)249102625(2024)1922(3)4226)32(37)33(38)35(30)1371234141739181534h81120223036H471219H213H3b3129+
MFCD18244503
ZINC000102527022
ZINC000102648105
Check stock
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Check stock on Vitas-MAvailable files
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