Vitas-M small molecule compound
4-[(E)-{2-[(5-bromopyridin-3-yl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 3-fluorobenzoate
Catalog ID
STK749325
SMILES COc1cc(/C=N/NC(=O)c2cncc(c2)Br)ccc1OC(=O)c1cccc(c1)F
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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 C21H15BrFN3O4 MW 472.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrFN3O4/c1-29-19-7-13(10-25-26-20(27)15-8-16(22)12-24-11-15)5-6-18(19)30-21(28)14-3-2-4-17(23)9-14/h2-12H,1H3,(H,26,27)/b25-10+InChIKey
MPLIXBKMARIUFW-KIBLKLHPSA-NSynonyms
(4((E)((5bromopyridine3carbonyl)hydrazinylidene)methyl)2methoxyphenyl)3fluorobenzoate
4((E)(2((5bromopyridin3yl)carbonyl)hydrazinylidene)methyl)2methoxyphenyl3fluorobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CN=C2)Br)OC(=O)C3=CC(=CC=C3)F
COc1cc(C=NNC(=O)c2cncc(c2)Br)ccc1OC(=O)c1cccc(c1)F
InChI=1SC21H15BrFN3O4c12919713(10252620(27)15816(22)12241115)5618(19)3021(28)1432417(23)914h212H1H3(H2627)b2510+
MFCD00570100
ZINC000001444733
ZINC33339153
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