Vitas-M small molecule compound
(1S,2S,5R)-2-(1H-benzotriazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK774098
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnc2c1cccc2
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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 C12H11N3O3 MW 245.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O3/c16-10-5-9(11-6-17-12(10)18-11)15-8-4-2-1-3-7(8)13-14-15/h1-4,9,11-12H,5-6H2/t9-,11+,12+/m0/s1InChIKey
UTXWASRJXOSPDO-MVWJERBFSA-NSynonyms
(1S2S5R)2(1Hbenzotriazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(BENZOTRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)N3C4=CC=CC=C4N=N3
InChI=1SC12H11N3O3c161059(1161712(10)1811)15842137(8)131415h1491112H56H2t911+12+m0s1
MFCD13372187
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnc2c1cccc2
ZINC000000112906
ZINC00112906
ZINC112906
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