Vitas-M small molecule compound
5-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}-2-chlorobenzoic acid
Catalog ID
STL505826
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C20H16ClNO9 MW 449.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO9/c1-8(23)29-19(30-9(2)24)20-6-5-13(31-20)14-15(20)17(26)22(16(14)25)10-3-4-12(21)11(7-10)18(27)28/h3-7,13-15,19H,1-2H3,(H,27,28)InChIKey
KXOOYMPHUPMNSA-UHFFFAOYSA-NSynonyms
2chloro5(7(diacetyloxymethyl)13dioxo47~(a)dihydro3~(a)~(H)47epoxyisoindol2yl)benzoicacid
5(4(bis(acetyloxy)methyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)2chlorobenzoicacid
6615857
InChI=1SC20H16ClNO9c18(23)2919(309(2)24)206513(3120)1415(20)17(26)22(16(14)25)103412(21)11(710)18(27)28h37131519H12H3(H2728)
MFCD01304272
ZINC000032138824
ZINC000245226788
Check stock
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Check stock on Vitas-MAvailable files
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