Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL037646
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC[NH+]1CCOCC1)/[O-]
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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 C26H29BrN2O5 MW 529.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O5/c1-17-16-19(6-9-21(17)33-2)24(30)22-23(18-4-7-20(27)8-5-18)29(26(32)25(22)31)11-3-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3/b24-22+InChIKey
BFYJERRSTXGWDU-ZNTNEXAZSA-NSynonyms
488718-93-0(4E)5(4BROMOPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(4BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
488718930
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)Br)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29BrN2O5c1171619(6921(17)332)24(30)2223(184720(27)8518)29(26(32)25(22)31)1131028121434151328h49162330H31015H212H3b2422+
MFCD18247465
ZINC000102857924
ZINC000102857928
Check stock
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Check stock on Vitas-MAvailable files
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