Vitas-M small molecule compound
ethyl 3-amino-1-[(1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-1H-pyrazole-4-carboxylate (non-preferred name)
Catalog ID
STL575935
SMILES CCOC(=O)c1cn(nc1N)[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 C12H15N3O5 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O5/c1-2-18-11(17)6-4-15(14-10(6)13)7-3-8(16)12-19-5-9(7)20-12/h4,7,9,12H,2-3,5H2,1H3,(H2,13,14)/t7-,9+,12+/m0/s1InChIKey
AOFQYLDGNUHVMJ-LPBBDHJYSA-NSynonyms
16761237
ethyl3amino1((1S2S5R)4oxo68dioxabicyclo(321)oct2yl)1Hpyrazole4carboxylate(nonpreferredname)
ethyl3amino1((1S2S5R)4oxo68dioxabicyclo(321)octan2yl)pyrazole4carboxylate
InChI=1SC12H15N3O5c121811(17)6415(1410(6)13)738(16)121959(7)2012h47912H235H21H3(H21314)t79+12+m0s1
MFCD31795111
ZINC000101311748
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