Vitas-M small molecule compound
ethyl (4-bromo-2-{(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetate
Catalog ID
STL437482
SMILES CCOC(=O)COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccc(cc1)Br)C)Br
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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 C21H18Br2N2O4 MW 522.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2N2O4/c1-3-28-20(26)12-29-19-9-6-16(23)10-14(19)11-18-13(2)24-25(21(18)27)17-7-4-15(22)5-8-17/h4-11H,3,12H2,1-2H3/b18-11-InChIKey
RIOOQGAIMSFMEL-WQRHYEAKSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C
CCOC(=O)COc1ccc(cc1C=C1C(=NN(C1=O)c1ccc(cc1)Br)C)Br
ethyl(4bromo2((Z)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenoxy)acetate
ethyl2(4bromo2((Z)(1(4bromophenyl)3methyl5oxopyrazol4ylidene)methyl)phenoxy)acetate
InChI=1SC21H18Br2N2O4c132820(26)1229199616(23)1014(19)111813(2)2425(21(18)27)177415(22)5817h411H312H212H3b1811
MFCD01158043
ZINC000008694353
ZINC8694353
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