Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(3-acetylphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK774383
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1cccc(c1)C(=O)C
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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 C15H14N4O4S MW 346.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O4S/c1-8(20)9-3-2-4-10(5-9)18-15(24)19(17-16-18)11-6-12(21)14-22-7-13(11)23-14/h2-5,11,13-14H,6-7H2,1H3/t11-,13+,14+/m0/s1InChIKey
CQTRXPWTCMYNJI-IACUBPJLSA-NSynonyms
(1R2S5S)2(4(3ACETYLPHENYL)5SULFANYLIDENETETRAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(4(3acetylphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(3acetylphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CC(=O)C1=CC(=CC=C1)N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4
InChI=1SC15H14N4O4Sc18(20)932410(59)1815(24)19(171618)11612(21)1422713(11)2314h25111314H67H21H3t1113+14+m0s1
MFCD13372196
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nnn(c1=S)c1cccc(c1)C(=O)C
ZINC000006667739
ZINC06667739
ZINC6667739
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