Vitas-M small molecule compound
(E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL038917
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc[nH+]c1)/[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 C25H21BrN2O4 MW 493.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O4/c1-15-11-18(8-9-20(15)32-2)23(29)21-22(17-6-3-7-19(26)12-17)28(25(31)24(21)30)14-16-5-4-10-27-13-16/h3-13,22,29H,14H2,1-2H3/b23-21+InChIKey
OGLSBPKYPSZUMM-XTQSDGFTSA-NSynonyms
(4E)5(3BROMOPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(3bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)Br)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc(nH+)c1)(O)
InChI=1SC25H21BrN2O4c1151118(8920(15)322)23(29)2122(1763719(26)1217)28(25(31)24(21)30)14165410271316h3132229H14H212H3b2321+
MFCD18247730
ZINC000102863116
ZINC000102863121
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