Vitas-M small molecule compound
(1S,2S,5R)-2-{4-methyl-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK780292
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)Cn1nnc(n1)c1ccccc1
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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 C17H17N7O3S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O3S/c1-22-14(8-23-20-15(18-21-23)10-5-3-2-4-6-10)19-24(17(22)28)11-7-12(25)16-26-9-13(11)27-16/h2-6,11,13,16H,7-9H2,1H3/t11-,13+,16+/m0/s1InChIKey
NKDPLPHOGJGISZ-NORZTCDRSA-NSynonyms
(1S2S5R)2(4methyl3((5phenyl2Htetrazol2yl)methyl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4methyl3((5phenyltetrazol2yl)methyl)5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)CN4N=C(N=N4)C5=CC=CC=C5
InChI=1SC17H17N7O3Sc12214(8232015(182123)105324610)1924(17(22)28)11712(25)1626913(11)2716h26111316H79H21H3t1113+16+m0s1
MFCD13372219
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)C)Cn1nnc(n1)c1ccccc1
ZINC000012427798
ZINC12427798
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