Vitas-M small molecule compound
2-(4-methoxy-2-nitrophenyl)-4,7-dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK661787
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(OC2(C)C=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 C17H16N2O6 MW 344.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6/c1-16-6-7-17(2,25-16)13-12(16)14(20)18(15(13)21)10-5-4-9(24-3)8-11(10)19(22)23/h4-8,12-13H,1-3H3InChIKey
JVUUTOUYNCREOP-UHFFFAOYSA-NSynonyms
2(4methoxy2nitrophenyl)47dimethyl3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(4methoxy2nitrophenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)OC)(N+)(=O)(O))C
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(OC2(C)C=C1)C
InChI=1SC17H16N2O6c1166717(22516)1312(16)14(20)18(15(13)21)10549(243)811(10)19(22)23h481213H13H3
MFCD01841694
ZINC000100069019
ZINC000169682286
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