Vitas-M small molecule compound
diethyl {2-[(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}hydrazinyl]-2-oxoethyl}phosphonate
Catalog ID
STK097066
SMILES CCOP(=O)(CC(=O)N/N=C/c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])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 C20H28N5O7P MW 481.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N5O7P/c1-6-31-33(29,32-7-2)13-19(26)22-21-11-16-8-9-18(30-5)17(10-16)12-24-15(4)20(25(27)28)14(3)23-24/h8-11H,6-7,12-13H2,1-5H3,(H,22,26)/b21-11+InChIKey
WZNZDOMUVQNQOP-SRZZPIQSSA-NSynonyms
(E)diethyl(2(2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxybenzylidene)hydrazinyl)2oxoethyl)phosphonate
2diethoxyphosphorylN((E)(3((35dimethyl4nitropyrazol1yl)methyl)4methoxyphenyl)methylideneamino)acetamide
CCOP(=O)(CC(=O)NN=CC1=CC(=C(C=C1)OC)CN2C(=C(C(=N2)C)(N+)(=O)(O))C)OCC
CCOP(=O)(CC(=O)NN=Cc1ccc(c(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)OC)OCC
DIETHYL(2((2E)2(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYBENZYLIDENE)HYDRAZINYL)2OXOETHYL)PHOSPHONATE
InChI=1SC20H28N5O7Pc163133(293272)1319(26)222111168918(305)17(1016)122415(4)20(25(27)28)14(3)2324h811H671213H215H3(H2226)b2111+
MFCD01880081
STK097066
ZINC000023505132
ZINC33563218
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