Vitas-M small molecule compound

2-[(1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-1H-isoindole-1,3(2H)-dione (non-preferred name)

Catalog ID
STK668159
SMILES O=C1N([C@H]2CC(=O)[C@H]3O[C@@H]2CO3)C(=O)c2c1cccc2

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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 C14H11NO5 MW 273.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11NO5/c16-10-5-9(11-6-19-14(10)20-11)15-12(17)7-3-1-2-4-8(7)13(15)18/h1-4,9,11,14H,5-6H2/t9-,11+,14+/m0/s1
InChIKey
HLBLGOMMRKHUJC-DRCTWCGVSA-N
Synonyms
184950-77-4
184950774
2((1S2S5R)4oxo68dioxabicyclo(321)oct2yl)1Hisoindole13(2H)dione(nonpreferredname)
2((1S2S5R)4OXO68DIOXABICYCLO(321)OCTAN2YL)ISOINDOLE13DIONE
C1C(C2COC(C1=O)O2)N3C(=O)C4=CC=CC=C4C3=O
InChI=1SC14H11NO5c161059(1161914(10)2011)1512(17)731248(7)13(15)18h1491114H56H2t911+14+m0s1
MFCD18246824
O=C1N((C@H)2CC(=O)(C@H)3O(C@@H)2CO3)C(=O)c2c1cccc2
ZINC000000058370
ZINC00058370
ZINC58370

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Available files

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