Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL044913
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OCC(C)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 C31H40N2O6 MW 536.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O6/c1-5-38-25-10-7-23(8-11-25)28-27(29(34)24-9-12-26(22(4)19-24)39-20-21(2)3)30(35)31(36)33(28)14-6-13-32-15-17-37-18-16-32/h7-12,19,21,28,34H,5-6,13-18,20H2,1-4H3/b29-27+InChIKey
LFDUZZGYWOXELK-ORIPQNMZSA-NSynonyms
498568-97-1(4E)5(4ETHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(4ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
498568971
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)C)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC31H40N2O6c15382510723(81125)2827(29(34)2491226(22(4)1924)392021(2)3)30(35)31(36)33(28)1461332151737181632h71219212834H56131820H214H3b2927+
MFCD18248517
ZINC000102876285
ZINC000102876289
Check stock
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Check stock on Vitas-MAvailable files
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