Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(3-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK769098
SMILES COc1cccc(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 C14H14N4O4S MW 334.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O4S/c1-20-9-4-2-3-8(5-9)17-14(23)18(16-15-17)10-6-11(19)13-21-7-12(10)22-13/h2-5,10,12-13H,6-7H2,1H3/t10-,12+,13+/m0/s1InChIKey
SWMDIWLUJASZTA-CYZMBNFOSA-NSynonyms
(1S2S5R)2(4(3methoxyphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(4(3methoxyphenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
COC1=CC=CC(=C1)N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4
COc1cccc(c1)n1nnn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC14H14N4O4Sc12094238(59)1714(23)18(161517)10611(19)1321712(10)2213h25101213H67H21H3t1012+13+m0s1
MFCD13372149
ZINC000006659539
ZINC06659539
ZINC6659539
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