Vitas-M small molecule compound

3-{(4Z)-4-[2,3-dibromo-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

Catalog ID
STK958896
SMILES C=CCOc1c(OCC)cc(c(c1Br)Br)/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 C23H20Br2N2O5 MW 564.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Br2N2O5/c1-4-9-32-21-18(31-5-2)12-15(19(24)20(21)25)11-17-13(3)26-27(22(17)28)16-8-6-7-14(10-16)23(29)30/h4,6-8,10-12H,1,5,9H2,2-3H3,(H,29,30)/b17-11-
InChIKey
FJNNGPFEUWXIHD-BOPFTXTBSA-N
Synonyms
445286-14-6
3((4Z)4((23dibromo5ethoxy4prop2enoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
3((4Z)4(23dibromo5ethoxy4(prop2en1yloxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
3(4(4(ALLYLOXY)23DIBROMO5ETHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
445286146
C=CCOc1c(OCC)cc(c(c1Br)Br)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
CCOC1=C(C(=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)Br)Br)OCC=C
InChI=1SC23H20Br2N2O5c149322118(3152)1215(19(24)20(21)25)111713(3)2627(22(17)28)1686714(1016)23(29)30h4681012H159H223H3(H2930)b1711
MFCD02371877
ZINC000008444243
ZINC8444243

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Available files

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