Vitas-M small molecule compound
(1S,2S,5R)-2-[5-(2-chlorophenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK771734
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnnc1c1ccccc1Cl
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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 C13H11ClN4O3 MW 306.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O3/c14-8-4-2-1-3-7(8)12-15-16-17-18(12)9-5-10(19)13-20-6-11(9)21-13/h1-4,9,11,13H,5-6H2/t9-,11+,13+/m0/s1InChIKey
ZILWLYWWNDPPOD-UFGOTCBOSA-NSynonyms
(1R2S5S)2(5(2CHLOROPHENYL)TETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(5(2chlorophenyl)1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(5(2chlorophenyl)tetrazol1yl)68dioxabicyclo(321)octan4one
C1C(C2COC(C1=O)O2)N3C(=NN=N3)C4=CC=CC=C4Cl
InChI=1SC13H11ClN4O3c14842137(8)1215161718(12)9510(19)1320611(9)2113h1491113H56H2t911+13+m0s1
MFCD13372176
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnnc1c1ccccc1Cl
ZINC000006659611
ZINC06659611
ZINC6659611
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