Vitas-M small molecule compound
ethyl (4-bromo-2-{(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetate
Catalog ID
STL437475
SMILES CCOC(=O)COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)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 C21H18BrClN2O4 MW 477.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrClN2O4/c1-3-28-20(26)12-29-19-8-7-15(22)9-14(19)10-18-13(2)24-25(21(18)27)17-6-4-5-16(23)11-17/h4-11H,3,12H2,1-2H3/b18-10-InChIKey
OMZKSYWJFZEWLS-ZDLGFXPLSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C
CCOC(=O)COc1ccc(cc1C=C1C(=NN(C1=O)c1cccc(c1)Cl)C)Br
ethyl(4bromo2((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenoxy)acetate
ETHYL2(4BROMO2((Z)(1(3CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC21H18BrClN2O4c132820(26)1229198715(22)914(19)101813(2)2425(21(18)27)1764516(23)1117h411H312H212H3b1810
MFCD01157304
ZINC000001408348
ZINC01408348
ZINC1408348
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