Vitas-M small molecule compound
(E)-{2-[4-(methoxycarbonyl)phenyl]-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
STL047273
SMILES COC(=O)c1ccc(cc1)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 C29H32N2O7 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O7/c1-18-16-22-17-21(8-9-23(22)38-18)26(32)24-25(19-4-6-20(7-5-19)29(35)36-2)31(28(34)27(24)33)11-3-10-30-12-14-37-15-13-30/h4-9,17-18,25,32H,3,10-16H2,1-2H3/b26-24+InChIKey
OPFZEINYGNKVGT-SHHOIMCASA-NSynonyms
578719-79-6(E)(2(4(methoxycarbonyl)phenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4METHOXYCARBONYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578719796
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC=C(C=C5)C(=O)OC)(O)
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC29H32N2O7c11816221721(8923(22)3818)26(32)2425(194620(7519)29(35)362)31(28(34)27(24)33)1131030121437151330h4917182532H31016H212H3b2624+
METHYL4((3E)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18249032
ZINC000102882826
ZINC000102882834
Check stock
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