Vitas-M small molecule compound
ethyl 5-cyano-4-oxo-2-thioxo-3-azaspiro[5.5]undecane-1-carboxylate
Catalog ID
STK079296
SMILES CCOC(=O)C1C(=S)NC(=O)C(C21CCCCC2)C#N
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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 C14H18N2O3S MW 294.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O3S/c1-2-19-13(18)10-12(20)16-11(17)9(8-15)14(10)6-4-3-5-7-14/h9-10H,2-7H2,1H3,(H,16,17,20)InChIKey
PMRXCQSAOKXJGK-UHFFFAOYSA-NSynonyms
5CYANO4OXO2THIOXO3AZASPIRO(55)UNDECANE1CARBOXYLICACIDETHYLESTER
CCOC(=O)C1C(=S)NC(=O)C(C12CCCCC2)C#N
CCOC(=O)C1C(=S)NC(=O)C(C21CCCCC2)C#N
ethyl1cyano2oxo4sulfanylidene3azaspiro(55)undecane5carboxylate
ETHYL5CYANO4OXO2THIOXO3AZASPIRO(55)UNDECANE1CARBOXYLATE
ETHYL7CYANO8OXO10SULFANYLIDENE9AZASPIRO(55)UNDECANE11CARBOXYLATE
InChI=1SC14H18N2O3Sc121913(18)1012(20)1611(17)9(815)14(10)6435714h910H27H21H3(H161720)
MFCD03032098
STK079296
ZINC000004601764
ZINC000004601767
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