Vitas-M small molecule compound
(1R,2R,5S)-2-{4-[2-(methylsulfanyl)phenyl]-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK774230
SMILES CSc1ccccc1n1nnn(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 C14H14N4O3S2 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O3S2/c1-23-12-5-3-2-4-8(12)17-14(22)18(16-15-17)9-6-10(19)13-20-7-11(9)21-13/h2-5,9,11,13H,6-7H2,1H3/t9-,11+,13+/m1/s1InChIKey
DKXQUPIJTAYYRT-CDMKHQONSA-NSynonyms
(1R2R5S)2(4(2(methylsulfanyl)phenyl)5thioxo45dihydro1Htetrazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1R2R5S)2(4(2methylsulfanylphenyl)5sulfanylidenetetrazol1yl)68dioxabicyclo(321)octan4one
CSC1=CC=CC=C1N2C(=S)N(N=N2)C3CC(=O)C4OCC3O4
CSc1ccccc1n1nnn(c1=S)(C@@H)1CC(=O)(C@@H)2O(C@H)1CO2
InChI=1SC14H14N4O3S2c1231253248(12)1714(22)18(161517)9610(19)1320711(9)2113h2591113H67H21H3t911+13+m1s1
MFCD13372193
ZINC000004602568
ZINC04602568
ZINC4602568
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