Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK769687
SMILES COc1cc(Cl)c(cc1n1nnn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)OC
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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 C15H15ClN4O5S MW 398.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN4O5S/c1-22-11-5-9(12(23-2)3-7(11)16)20-15(26)19(17-18-20)8-4-10(21)14-24-6-13(8)25-14/h3,5,8,13-14H,4,6H2,1-2H3/t8-,13+,14+/m0/s1InChIKey
WTGHQZIAAWZQDI-MCCGJVOXSA-NSynonyms
(1R2S5S)2(4(4CHLORO25DIMETHOXYPHENYL)5SULFANYLIDENETETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4(4chloro25dimethoxyphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(4chloro25dimethoxyphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
COC1=CC(=C(C=C1N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4)OC)Cl
COc1cc(Cl)c(cc1n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)OC
InChI=1SC15H15ClN4O5Sc1221159(12(232)37(11)16)2015(26)19(171820)8410(21)1424613(8)2514h3581314H46H212H3t813+14+m0s1
MFCD13372155
ZINC000006659555
ZINC06659555
ZINC6659555
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