Vitas-M small molecule compound
[2-(2-methyl-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyl diacetate
Catalog ID
STK257069
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cc(ccc1C)[N+](=O)[O-])OC(=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 C20H18N2O9 MW 430.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O9/c1-9-4-5-12(22(27)28)8-13(9)21-17(25)15-14-6-7-20(31-14,16(15)18(21)26)19(29-10(2)23)30-11(3)24/h4-8,14-16,19H,1-3H3InChIKey
DBDFEEFLACXYLR-UHFFFAOYSA-NSynonyms
(2(2methyl5nitrophenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(2methyl5nitrophenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cc(ccc1C)(N+)(=O)(O))OC(=O)C
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C
InChI=1SC20H18N2O9c194512(22(27)28)813(9)2117(25)15146720(311416(15)18(21)26)19(2910(2)23)3011(3)24h48141619H13H3
MFCD03559513
ZINC000009355945
ZINC000226649492
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