Vitas-M small molecule compound
2-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311530
SMILES Cc1ccc(c(c1)Oc1cc(cc(c1)N1C(=O)C2C(C1=O)C1OC2CC1)[N+](=O)[O-])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/c1-11-3-4-12(2)18(7-11)29-15-9-13(8-14(10-15)24(27)28)23-21(25)19-16-5-6-17(30-16)20(19)22(23)26/h3-4,7-10,16-17,19-20H,5-6H2,1-2H3InChIKey
CZYFRFJXXXEKSW-UHFFFAOYSA-NSynonyms
1052568-83-81052568838
2(3(25dimethylphenoxy)5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3(25dimethylphenoxy)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5
Cc1ccc(c(c1)Oc1cc(cc(c1)N1C(=O)C2C(C1=O)C1OC2CC1)(N+)(=O)(O))C
InChI=1SC22H20N2O6c1113412(2)18(711)2915913(814(1015)24(27)28)2321(25)19165617(3016)20(19)22(23)26h3471016171920H56H212H3
MFCD04138133
ZINC000103155253
ZINC000103155263
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