Vitas-M small molecule compound
2-chloro-5-{5-[(Z)-{1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK022039
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O)C
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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 C25H19ClN2O6 MW 478.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN2O6/c1-3-33-25(32)15-4-7-17(8-5-15)28-23(29)19(14(2)27-28)13-18-9-11-22(34-18)16-6-10-21(26)20(12-16)24(30)31/h4-13H,3H2,1-2H3,(H,30,31)/b19-13-InChIKey
FTOCQRMUNLIJTF-UYRXBGFRSA-NSynonyms
2CHLORO5(5((Z)(1(4(ETHOXYCARBONYL)PHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO5(5((Z)(1(4ETHOXYCARBONYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=N2)C
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O)C
InChI=1SC25H19ClN2O6c133325(32)154717(8515)2823(29)19(14(2)2728)131891122(3418)1661021(26)20(1216)24(30)31h413H3H212H3(H3031)b1913
MFCD03307289
STK022039
ZINC000009057232
ZINC9057232
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