Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(2,3-dimethylphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK771057
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1cccc(c1C)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 C15H16N4O3S MW 332.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O3S/c1-8-4-3-5-10(9(8)2)18-15(23)19(17-16-18)11-6-12(20)14-21-7-13(11)22-14/h3-5,11,13-14H,6-7H2,1-2H3/t11-,13+,14+/m0/s1InChIKey
XTYSWVFUHYWRRK-IACUBPJLSA-NSynonyms
(1S2S5R)2(4(23dimethylphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(23dimethylphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CC1=C(C(=CC=C1)N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4)C
InChI=1SC15H16N4O3Sc1843510(9(8)2)1815(23)19(171618)11612(20)1421713(11)2214h35111314H67H212H3t1113+14+m0s1
MFCD13372173
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1cccc(c1C)C
ZINC000006659597
ZINC06659597
ZINC6659597
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