Vitas-M small molecule compound
2-chloro-5-[(4Z)-4-({5-[4-chloro-3-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK376460
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C24H16Cl2N2O6 MW 499.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16Cl2N2O6/c1-12-16(22(29)28(27-12)14-4-7-19(25)17(10-14)23(30)31)11-15-5-8-21(34-15)13-3-6-20(26)18(9-13)24(32)33-2/h3-11H,1-2H3,(H,30,31)/b16-11-InChIKey
JIKDEUPKGDUAIM-WJDWOHSUSA-NSynonyms
2chloro5((4Z)4((5(4chloro3(methoxycarbonyl)phenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
2CHLORO5((4Z)4((5(4CHLORO3METHOXYCARBONYLPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OC)C4=CC(=C(C=C4)Cl)C(=O)O
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC24H16Cl2N2O6c11216(22(29)28(2712)144719(25)17(1014)23(30)31)11155821(3415)133620(26)18(913)24(32)332h311H12H3(H3031)b1611
MFCD01158579
ZINC000015938854
ZINC15938854
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