Vitas-M small molecule compound
(E)-{2-[4-(benzyloxy)-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
STL046565
SMILES CCOc1cc(ccc1OCc1ccccc1)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 C36H40N2O7 MW 612.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N2O7/c1-3-43-31-22-26(10-13-30(31)44-23-25-8-5-4-6-9-25)33-32(34(39)27-11-12-29-28(21-27)20-24(2)45-29)35(40)36(41)38(33)15-7-14-37-16-18-42-19-17-37/h4-6,8-13,21-22,24,33,39H,3,7,14-20,23H2,1-2H3/b34-32+InChIKey
ILCGQMRQMYEZQJ-NWBJSICCSA-NSynonyms
(4E)5(3ETHOXY4PHENYLMETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3ETHOXY4PHENYLMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
(E)(2(4(benzyloxy)3ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5)OCC6=CC=CC=C6
CCOc1cc(ccc1OCc1ccccc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC36H40N2O7c1343312226(101330(31)4423258546925)3332(34(39)2711122928(2127)2024(2)4529)35(40)36(41)38(33)1571437161842191737h468132122243339H37142023H212H3b3432+
MFCD18248877
ZINC000102881323
ZINC000102881329
Check stock
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