Vitas-M small molecule compound
ethyl {5-bromo-2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
Catalog ID
STK160981
SMILES CCOC(=O)COc1cc(Br)c(cc1OC)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-4-29-21(26)13-30-20-12-18(23)15(11-19(20)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3/b17-10-InChIKey
CWVUHWYWYWSUDI-YVLHZVERSA-NSynonyms
CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OC
CCOC(=O)COc1cc(Br)c(cc1OC)C=C1C(=NN(C1=O)c1ccccc1)C
ETHYL(5BROMO2METHOXY4((3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL(5BROMO2METHOXY4((Z)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(5BROMO2METHOXY4((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H21BrN2O5c142921(26)1330201218(23)15(1119(20)283)101714(2)2425(22(17)27)168657916h512H413H213H3b1710
MFCD03699162
ZINC000000683795
ZINC00683795
ZINC683795
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