Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK560120
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCCn1cc[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 C25H23ClN4O6 MW 510.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O6/c1-2-36-20-9-6-17(14-19(20)26)23(31)21-22(16-4-7-18(8-5-16)30(34)35)29(25(33)24(21)32)12-3-11-28-13-10-27-15-28/h4-10,13-15,22,31H,2-3,11-12H2,1H3/b23-21+InChIKey
JASLCKKFXQFIRG-XTQSDGFTSA-NSynonyms
862486-02-0(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(1Himidazol3ium1yl)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)5(4NITROPHENYL)3PYRROLIN2ONE
862486020
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)(N+)(=O)(O))O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCCn1cc(nH+)c1)(O)
InChI=1SC25H23ClN4O6c1236209617(1419(20)26)23(31)2122(164718(8516)30(34)35)29(25(33)24(21)32)12311281310271528h41013152231H231112H21H3b2321+
MFCD18243450
ZINC000102493187
ZINC000102493198
Check stock
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Check stock on Vitas-MAvailable files
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