Vitas-M small molecule compound
(1S,2S,5R)-2-{5-thioxo-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK771002
SMILES FC(Oc1ccc(cc1)n1nnn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)(F)F
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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 C14H11F3N4O4S MW 388.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F3N4O4S/c15-14(16,17)25-8-3-1-7(2-4-8)20-13(26)21(19-18-20)9-5-10(22)12-23-6-11(9)24-12/h1-4,9,11-12H,5-6H2/t9-,11+,12+/m0/s1InChIKey
MQOIACXYEHUUPK-MVWJERBFSA-NSynonyms
(1S2S5R)2(5SULFANYLIDENE4(4(TRIFLUOROMETHOXY)PHENYL)TETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(5thioxo4(4(trifluoromethoxy)phenyl)45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CC=C(C=C4)OC(F)(F)F
FC(Oc1ccc(cc1)n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)(F)F
InChI=1SC14H11F3N4O4Sc1514(1617)258317(248)2013(26)21(191820)9510(22)1223611(9)2412h1491112H56H2t911+12+m0s1
MFCD13372168
ZINC000001074099
ZINC01074099
ZINC1074099
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