Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL148179
SMILES COc1cccc(c1)/C(=C\1/C(c2cccc(c2)Br)N(C(=O)C1=O)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 C25H27BrN2O5 MW 515.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN2O5/c1-32-20-8-3-6-18(16-20)23(29)21-22(17-5-2-7-19(26)15-17)28(25(31)24(21)30)10-4-9-27-11-13-33-14-12-27/h2-3,5-8,15-16,22,29H,4,9-14H2,1H3/b23-21+InChIKey
DGIQNFCXZGWKMS-XTQSDGFTSA-NSynonyms
608505-14-2(4E)5(3BROMOPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(2(3BROMOPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
5(3BROMOPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
608505142
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)Br)(O)
COc1cccc(c1)C(=C1C(c2cccc(c2)Br)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27BrN2O5c1322083618(1620)23(29)2122(1752719(26)1517)28(25(31)24(21)30)104927111333141227h235815162229H4914H21H3b2321+
MFCD20755341
ZINC000102926736
ZINC000102926737
Check stock
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Check stock on Vitas-MAvailable files
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