Vitas-M small molecule compound

(1S,2S,5R)-2-[4-(3,5-dimethylphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)

Catalog ID
STK774226
SMILES Cc1cc(C)cc(c1)n1nnn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2

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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/c1-8-3-9(2)5-10(4-8)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/s1
InChIKey
HWOVWQFHZUFIRG-IACUBPJLSA-N
Synonyms

(1R2S5S)2(4(35DIMETHYLPHENYL)5SULFANYLIDENETETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4(35DIMETHYLPHENYL)5SULFANYLIDENETETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4(35dimethylphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CC1=CC(=CC(=C1)N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4)C
Cc1cc(C)cc(c1)n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC15H16N4O3Sc1839(2)510(48)1815(23)19(171618)11612(20)1421713(11)2214h35111314H67H212H3t1113+14+m0s1
MFCD13372192
ZINC000000117234
ZINC00117234
ZINC117234

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Available files

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