Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(naphthalen-1-yl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK760100
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1cccc2c1cccc2
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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 C17H14N4O3S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3S/c22-14-8-13(15-9-23-16(14)24-15)21-17(25)20(18-19-21)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,15-16H,8-9H2/t13-,15+,16+/m0/s1InChIKey
NIKGNGJPFJMWDQ-NUEKZKHPSA-NSynonyms
(1S2S5R)2(4(naphthalen1yl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4naphthalen1yl5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
C1C(C2COC(C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC5=CC=CC=C54
InChI=1SC17H14N4O3Sc2214813(1592316(14)2415)2117(25)20(181921)1273510412611(10)12h17131516H89H2t1315+16+m0s1
MFCD13372112
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1cccc2c1cccc2
ZINC000006670382
ZINC06670382
ZINC6670382
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