Vitas-M small molecule compound
methyl 4-{4-[(1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl}benzoate (non-preferred name)
Catalog ID
STK772242
SMILES COC(=O)c1ccc(cc1)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 C15H14N4O5S MW 362.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O5S/c1-22-13(21)8-2-4-9(5-3-8)18-15(25)19(17-16-18)10-6-11(20)14-23-7-12(10)24-14/h2-5,10,12,14H,6-7H2,1H3/t10-,12+,14+/m0/s1InChIKey
ADFLCQGWUFAUMK-ZKYQVNSYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4
COC(=O)c1ccc(cc1)n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC15H14N4O5Sc12213(21)8249(538)1815(25)19(171618)10611(20)1423712(10)2414h25101214H67H21H3t1012+14+m0s1
methyl4(4((1S2S5R)4oxo68dioxabicyclo(321)oct2yl)5thioxo45dihydro1Htetrazol1yl)benzoate(nonpreferredname)
methyl4(4((1S2S5R)4oxo68dioxabicyclo(321)octan2yl)5sulfanylidenetetrazol1yl)benzoate
MFCD13372183
ZINC000006659625
ZINC06659625
ZINC6659625
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