Vitas-M small molecule compound
2-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311716
SMILES Cc1cc(Oc2cc(cc(c2)N2C(=O)C3C(C2=O)C2OC3CC2)[N+](=O)[O-])cc(c1)C
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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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-11-5-12(2)7-15(6-11)29-16-9-13(8-14(10-16)24(27)28)23-21(25)19-17-3-4-18(30-17)20(19)22(23)26/h5-10,17-20H,3-4H2,1-2H3InChIKey
TVGGSYRIBDYTRP-UHFFFAOYSA-NSynonyms
1052576-16-51052576165
2(3(35dimethylphenoxy)5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3(35dimethylphenoxy)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5)C
Cc1cc(Oc2cc(cc(c2)N2C(=O)C3C(C2=O)C2OC3CC2)(N+)(=O)(O))cc(c1)C
InChI=1SC22H20N2O6c111512(2)715(611)2916913(814(1016)24(27)28)2321(25)19173418(3017)20(19)22(23)26h5101720H34H212H3
MFCD04139847
ZINC000103155523
ZINC000103155528
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