Vitas-M small molecule compound
2-bromo-6-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl acetate
Catalog ID
STK968382
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1OC(=O)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 C20H17BrN2O4 MW 429.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O4/c1-12-16(20(25)23(22-12)15-7-5-4-6-8-15)9-14-10-17(21)19(27-13(2)24)18(11-14)26-3/h4-11H,1-3H3/b16-9-InChIKey
SZCXHXXYFUNKMH-SXGWCWSVSA-NSynonyms
(2bromo6methoxy4((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)phenyl)acetate
2bromo6methoxy4((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)phenylacetate
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OC(=O)C)OC)C3=CC=CC=C3
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OC(=O)C)Br
InChI=1SC20H17BrN2O4c11216(20(25)23(2212)157546815)9141017(21)19(2713(2)24)18(1114)263h411H13H3b169
MFCD02371465
ZINC000013914679
ZINC13914679
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