Vitas-M small molecule compound
2-{[(E)-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK728357
SMILES CCOc1cc(/C=N/N2C(=O)C3C(C2=O)C2CCC3C=C2)ccc1OCc1ccc(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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-2-34-22-13-17(5-12-21(22)35-15-16-3-10-20(11-4-16)29(32)33)14-27-28-25(30)23-18-6-7-19(9-8-18)24(23)26(28)31/h3-7,10-14,18-19,23-24H,2,8-9,15H2,1H3/b27-14+InChIKey
RFJWHYIMVCMRNC-MZJWZYIUSA-NSynonyms
2(((E)(3ethoxy4((4nitrobenzyl)oxy)phenyl)methylidene)amino)3a477atetrahydro1H47ethanoisoindole13(2H)dione
CCOC1=C(C=CC(=C1)C=NN2C(=O)C3C4CCC(C3C2=O)C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O)
CCOc1cc(C=NN2C(=O)C3C(C2=O)C2CCC3C=C2)ccc1OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H25N3O6c1234221317(51221(22)35151631020(11416)29(32)33)14272825(30)23186719(9818)24(23)26(28)31h37101418192324H28915H21H3b2714+
MFCD00827419
ZINC000100055194
ZINC000105422794
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