Vitas-M small molecule compound
(1S,2S,5R)-2-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK758868
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)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 C13H12N4O3S MW 304.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O3S/c18-10-6-9(11-7-19-12(10)20-11)17-13(21)16(14-15-17)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2/t9-,11+,12+/m0/s1InChIKey
CIFNYXJRKAYSPW-MVWJERBFSA-NSynonyms
(1S2S5R)2(4PHENYL5SULFANYLIDENETETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4phenyl5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4
InChI=1SC13H12N4O3Sc181069(1171912(10)2011)1713(21)16(141517)8421358h1591112H67H2t911+12+m0s1
MFCD13372101
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1ccccc1
ZINC000001024844
ZINC01024844
ZINC1024844
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