Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl)[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562055
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)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 C25H20Cl2N2O4 MW 483.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O4/c1-2-33-20-9-8-17(12-19(20)27)23(30)21-22(16-6-3-7-18(26)11-16)29(25(32)24(21)31)14-15-5-4-10-28-13-15/h3-13,22,30H,2,14H2,1H3/b23-21+InChIKey
ZVPMNAWUDSGDNM-XTQSDGFTSA-NSynonyms
636988-18-6(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3CHLOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3CHLORO4ETHOXYPHENYL)(2(3CHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(3chloro4ethoxyphenyl)(2(3chlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
636988186
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)Cl)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)Cc1ccc(nH+)c1)(O)
InChI=1SC25H20Cl2N2O4c1233209817(1219(20)27)23(30)2122(1663718(26)1116)29(25(32)24(21)31)14155410281315h3132230H214H21H3b2321+
MFCD18243957
ZINC000102509331
ZINC000102509339
Check stock
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Check stock on Vitas-MAvailable files
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