Vitas-M small molecule compound
3-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoic acid
Catalog ID
STL388188
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O)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 C20H17NO9 MW 415.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO9/c1-9(22)28-19(29-10(2)23)20-7-6-13(30-20)14-15(20)17(25)21(16(14)24)12-5-3-4-11(8-12)18(26)27/h3-8,13-15,19H,1-2H3,(H,26,27)InChIKey
WJAGJAHTEFRDQD-UHFFFAOYSA-NSynonyms
3(4(bis(acetyloxy)methyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
3(7(diacetyloxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoicacid
CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)OC(=O)C
InChI=1SC20H17NO9c19(22)2819(2910(2)23)207613(3020)1415(20)17(25)21(16(14)24)1253411(812)18(26)27h38131519H12H3(H2627)
MFCD00750667
ZINC000004697741
ZINC000239432758
Check stock
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Check stock on Vitas-MAvailable files
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