Vitas-M small molecule compound
ethyl 9-chloro-1',3'-dimethyl-2',4',6'-trioxo-1,1',2,3',4,4',4a,6'-octahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STL441392
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2cc(Cl)cc3)C(=O)N(C)C(=O)N(C1=O)C
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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 C20H23ClN4O5 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O5/c1-4-30-19(29)24-7-8-25-14-9-13(21)6-5-12(14)10-20(15(25)11-24)16(26)22(2)18(28)23(3)17(20)27/h5-6,9,15H,4,7-8,10-11H2,1-3H3InChIKey
OQURATWSWSOLSI-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=C(C=C4)Cl)C(=O)N(C(=O)N(C3=O)C)C
ethyl9chloro13dimethyl246trioxo1123444a6octahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
ethyl9chloro13dimethyl246trioxospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carboxylate
InChI=1SC20H23ClN4O5c143019(29)24782514913(21)6512(14)1020(15(25)1124)16(26)22(2)18(28)23(3)17(20)27h56915H4781011H213H3
MFCD08060258
ZINC000008773671
ZINC000008773673
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