Vitas-M small molecule compound

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

Catalog ID
STK260131
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(cc1C)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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-10-5-6-14(11(2)9-10)22-18(25)16-15-7-8-21(29-15,17(16)19(22)26)20(27-12(3)23)28-13(4)24/h5-9,15-17,20H,1-4H3
InChIKey
GIDCRPORFLLNHJ-UHFFFAOYSA-N
Synonyms

(2(24dimethylphenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(24dimethylphenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C)C
InChI=1SC21H21NO7c1105614(11(2)910)2218(25)16157821(291517(16)19(22)26)20(2712(3)23)2813(4)24h59151720H14H3
MFCD02181945
ZINC000006189546
ZINC000169685328

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.