Vitas-M small molecule compound
diethyl {2-[(2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}hydrazinyl]-2-oxoethyl}phosphonate
Catalog ID
STK068914
SMILES CCOP(=O)(CC(=O)N/N=C/c1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)OCC
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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 C20H28BrN4O5P MW 515.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28BrN4O5P/c1-6-29-31(27,30-7-2)13-19(26)23-22-11-16-8-9-18(28-5)17(10-16)12-25-15(4)20(21)14(3)24-25/h8-11H,6-7,12-13H2,1-5H3,(H,23,26)/b22-11+InChIKey
AOVBLGSFSPUZTK-SSDVNMTOSA-NSynonyms
(E)diethyl(2(2(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxybenzylidene)hydrazinyl)2oxoethyl)phosphonate
CCOP(=O)(CC(=O)NN=CC1=CC(=C(C=C1)OC)CN2C(=C(C(=N2)C)Br)C)OCC
CCOP(=O)(CC(=O)NN=Cc1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)OCC
DIETHYL(2((2E)2(3((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYBENZYLIDENE)HYDRAZINYL)2OXOETHYL)PHOSPHONATE
InChI=1SC20H28BrN4O5Pc162931(273072)1319(26)232211168918(285)17(1016)122515(4)20(21)14(3)2425h811H671213H215H3(H2326)b2211+
MFCD01559415
N((E)(3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)2DIETHOXYPHOSPHORYLACETAMIDE
STK068914
ZINC000002244878
ZINC33351473
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