Vitas-M small molecule compound

[2-(2-methoxy-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyl diacetate

Catalog ID
STK257068
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1(OC2C=C1)C(OC(=O)C)OC(=O)C)[N+](=O)[O-]

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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)12-8-11(22(27)28)4-5-13(12)29-3/h4-8,14-16,19H,1-3H3
InChIKey
JFMDESUBWXLELI-UHFFFAOYSA-N
Synonyms

(2(2methoxy5nitrophenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(2methoxy5nitrophenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)(N+)(=O)(O))OC)OC(=O)C
COc1ccc(cc1N1C(=O)C2C(C1=O)C1(OC2C=C1)C(OC(=O)C)OC(=O)C)(N+)(=O)(O)
InChI=1SC20H18N2O10c19(23)3019(3110(2)24)207614(3220)1516(20)18(26)21(17(15)25)12811(22(27)28)4513(12)293h48141619H13H3
MFCD03555347
ZINC000100251709
ZINC000101391552

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Available files

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