Vitas-M small molecule compound
(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3-chloro-4-ethoxyphenyl)methanolate
Catalog ID
STK562121
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)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 C25H20BrClN2O4 MW 527.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O4/c1-2-33-20-10-7-17(12-19(20)27)23(30)21-22(16-5-8-18(26)9-6-16)29(25(32)24(21)31)14-15-4-3-11-28-13-15/h3-13,22,30H,2,14H2,1H3/b23-21+InChIKey
QNTWGJQNGFWLKI-XTQSDGFTSA-NSynonyms
636988-16-4(4E)5(4BROMOPHENYL)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3CHLORO4ETHOXYPHENYL)METHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3chloro4ethoxyphenyl)methanolate
5(4BROMOPHENYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636988164
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Br)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc(nH+)c1)(O)
InChI=1SC25H20BrClN2O4c12332010717(1219(20)27)23(30)2122(165818(26)9616)29(25(32)24(21)31)14154311281315h3132230H214H21H3b2321+
MFCD18243967
ZINC000102509772
ZINC000102509783
Check stock
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Check stock on Vitas-MAvailable files
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