Vitas-M small molecule compound
(E)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL148851
SMILES CCCOc1cccc(c1)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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-3-14-37-24-7-4-6-21(19-24)27-26(28(33)22-8-9-25-23(18-22)17-20(2)38-25)29(34)30(35)32(27)11-5-10-31-12-15-36-16-13-31/h4,6-9,18-20,27,33H,3,5,10-17H2,1-2H3/b28-26+InChIKey
IUWYKFJYTWUPKQ-BYCLXTJYSA-NSynonyms
578718-78-2(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(2methyl23dihydro1benzofuran5yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)5CCOCC5
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
Registry IDs
MFCD20755485ZINC000102927110
ZINC000102927122
Check stock
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Check stock on Vitas-MAvailable files
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