Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(4-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK760099
SMILES COc1ccc(cc1)c1nn(c(=S)n1C)[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 C16H17N3O4S MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O4S/c1-18-14(9-3-5-10(21-2)6-4-9)17-19(16(18)24)11-7-12(20)15-22-8-13(11)23-15/h3-6,11,13,15H,7-8H2,1-2H3/t11-,13+,15+/m0/s1InChIKey
WRMVYVASKKHCME-NJZAAPMLSA-NSynonyms
(1S2S5R)2(3(4methoxyphenyl)4methyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(3(4methoxyphenyl)4methyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nn(c(=S)n1C)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2
InChI=1SC16H17N3O4Sc11814(93510(212)649)1719(16(18)24)11712(20)1522813(11)2315h36111315H78H212H3t1113+15+m0s1
MFCD13372111
ZINC000006670381
ZINC06670381
ZINC6670381
Check stock
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