Vitas-M small molecule compound

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

Catalog ID
STK260132
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cccc(c1)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 C20H19NO7 MW 385.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO7/c1-10-5-4-6-13(9-10)21-17(24)15-14-7-8-20(28-14,16(15)18(21)25)19(26-11(2)22)27-12(3)23/h4-9,14-16,19H,1-3H3
InChIKey
PCJGUFMOKBNALM-UHFFFAOYSA-N
Synonyms

(2(3methylphenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(3methylphenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C
InChI=1SC20H19NO7c11054613(910)2117(24)15147820(281416(15)18(21)25)19(2611(2)22)2712(3)23h49141619H13H3
MFCD00750665
ZINC000005418546
ZINC000045317688

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Available files

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