Vitas-M small molecule compound
[2-(4-methoxy-2-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyl diacetate
Catalog ID
STK257604
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(OC2C=C1)C(OC(=O)C)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 C20H18N2O10 MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O10/c1-9(23)30-19(31-10(2)24)20-7-6-14(32-20)15-16(20)18(26)21(17(15)25)12-5-4-11(29-3)8-13(12)22(27)28/h4-8,14-16,19H,1-3H3InChIKey
XPCQTJWFEXSYPN-UHFFFAOYSA-NSynonyms
(2(4methoxy2nitrophenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(4methoxy2nitrophenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)OC)(N+)(=O)(O))OC(=O)C
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(OC2C=C1)C(OC(=O)C)OC(=O)C
InChI=1SC20H18N2O10c19(23)3019(3110(2)24)207614(3220)1516(20)18(26)21(17(15)25)125411(293)813(12)22(27)28h48141619H13H3
MFCD01239638
ZINC000100059820
ZINC000101360074
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