Vitas-M small molecule compound
4-[(E)-{2-[(2,6-dimethylphenoxy)acetyl]hydrazinylidene}methyl]-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STK272452
SMILES CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C26H25N3O7 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O7/c1-4-34-23-14-19(15-27-28-24(30)16-35-25-17(2)6-5-7-18(25)3)8-13-22(23)36-26(31)20-9-11-21(12-10-20)29(32)33/h5-15H,4,16H2,1-3H3,(H,28,30)/b27-15+InChIKey
VCPWHAQRFAXYBK-JFLMPSFJSA-NSynonyms
(4((E)((2(26dimethylphenoxy)acetyl)hydrazinylidene)methyl)2ethoxyphenyl)4nitrobenzoate
4((E)(2((26dimethylphenoxy)acetyl)hydrazinylidene)methyl)2ethoxyphenyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=CC=C2C)C)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H25N3O7c1434231419(15272824(30)16352517(2)65718(25)3)81322(23)3626(31)2091121(121020)29(32)33h515H416H213H3(H2830)b2715+
MFCD00822096
ZINC000003115105
ZINC104090638
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