Vitas-M small molecule compound
[2-(3-bromo-4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyl diacetate
Catalog ID
STK257598
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(c(c1)Br)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 C20H18BrNO7 MW 464.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO7/c1-9-4-5-12(8-13(9)21)22-17(25)15-14-6-7-20(29-14,16(15)18(22)26)19(27-10(2)23)28-11(3)24/h4-8,14-16,19H,1-3H3InChIKey
JLMMDRVTXHWKNK-UHFFFAOYSA-NSynonyms
(2(3bromo4methylphenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(3bromo4methylphenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)C(OC(=O)C)OC(=O)C)Br
InChI=1SC20H18BrNO7c194512(813(9)21)2217(25)15146720(291416(15)18(22)26)19(2710(2)23)2811(3)24h48141619H13H3
MFCD03159028
ZINC000009356236
ZINC000226650427
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