Vitas-M small molecule compound
3-{(4Z)-4-[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK958867
SMILES CCOC(=O)COc1c(I)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)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 C23H21IN2O7 MW 564.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21IN2O7/c1-4-32-20(27)12-33-21-18(24)9-14(10-19(21)31-3)8-17-13(2)25-26(22(17)28)16-7-5-6-15(11-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)/b17-8-InChIKey
AGICJWCUHXIDCK-IUXPMGMMSA-NSynonyms
445285-96-13((4Z)4((4(2ETHOXY2OXOETHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4Z)4(4(2ethoxy2oxoethoxy)3iodo5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
3(4(4(2ETHOXY2OXOETHOXY)3IODO5METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
445285961
CCOC(=O)COC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC
CCOC(=O)COc1c(I)cc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC23H21IN2O7c143220(27)12332118(24)914(1019(21)313)81713(2)2526(22(17)28)1675615(1116)23(29)30h511H412H213H3(H2930)b178
MFCD02371811
ZINC000008444229
ZINC8444229
Check stock
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Check stock on Vitas-MAvailable files
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