Vitas-M small molecule compound
2-[4-amino-3-(1H-pyrazol-1-yl)-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
STK667274
SMILES O=C1CC(C2OC1OC2)n1nc(n(c1=S)N)n1cccn1
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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 C11H12N6O3S MW 308.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N6O3S/c12-16-10(15-3-1-2-13-15)14-17(11(16)21)6-4-7(18)9-19-5-8(6)20-9/h1-3,6,8-9H,4-5,12H2InChIKey
XTZXLEXHASYPSN-UHFFFAOYSA-NSynonyms
2(4amino3(1Hpyrazol1yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
2(4AMINO3PYRAZOL1YL5SULFANYLIDENE124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
C1C(C2COC(C1=O)O2)N3C(=S)N(C(=N3)N4C=CC=N4)N
InChI=1SC11H12N6O3Sc121610(153121315)1417(11(16)21)647(18)91958(6)209h13689H4512H2
MFCD05859013
ZINC000105819864
ZINC000105819867
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