Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(3-chlorophenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK771056
SMILES Clc1cccc(c1)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 C13H11ClN4O3S MW 338.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O3S/c14-7-2-1-3-8(4-7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9-,11+,12+/m0/s1InChIKey
RGTCKGUCBKGBRY-MVWJERBFSA-NSynonyms
(1S2S5R)2(4(3chlorophenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(3chlorophenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CC(=CC=C4)Cl
Clc1cccc(c1)n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC13H11ClN4O3Sc1472138(47)1713(22)18(161517)9510(19)1220611(9)2112h1491112H56H2t911+12+m0s1
MFCD13372172
ZINC000006659595
ZINC06659595
ZINC6659595
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