Vitas-M small molecule compound
4-{(4Z)-4-[4-(carboxymethoxy)-3-ethoxy-5-iodobenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK958489
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)C(=O)O)C)cc(c1OCC(=O)O)I
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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 C22H19IN2O7 MW 550.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19IN2O7/c1-3-31-18-10-13(9-17(23)20(18)32-11-19(26)27)8-16-12(2)24-25(21(16)28)15-6-4-14(5-7-15)22(29)30/h4-10H,3,11H2,1-2H3,(H,26,27)(H,29,30)/b16-8-InChIKey
KCEGZVQTKYJNBO-PXNMLYILSA-NSynonyms
353771-08-1353771081
4((4Z)4((4(carboxymethoxy)3ethoxy5iodophenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
4((4Z)4((4(CARBOXYMETHYLOXY)3ETHOXY5IODOPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(4(carboxymethoxy)3ethoxy5iodobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
4(4(4(CARBOXYMETHOXY)3ETHOXY5IODOBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)I)OCC(=O)O
CCOc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)C(=O)O)C)cc(c1OCC(=O)O)I
InChI=1SC22H19IN2O7c1331181013(917(23)20(18)321119(26)27)81612(2)2425(21(16)28)156414(5715)22(29)30h410H311H212H3(H2627)(H2930)b168
MFCD02054640
ZINC000008443817
ZINC8443817
Check stock
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Check stock on Vitas-MAvailable files
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