Vitas-M small molecule compound
ethyl 7-chloro-1',3'-dimethyl-4',6'-dioxo-2'-thioxo-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
STK604061
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=O)N(C)C(=S)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 C20H23ClN4O4S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O4S/c1-4-29-19(28)24-8-9-25-14-7-5-6-13(21)12(14)10-20(15(25)11-24)16(26)22(2)18(30)23(3)17(20)27/h5-7,15H,4,8-11H2,1-3H3InChIKey
LBOASDMITHUASM-UHFFFAOYSA-NSynonyms
905429-05-2905429052
CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=CC=C4Cl)C(=O)N(C(=S)N(C3=O)C)C
ethyl7chloro13dimethyl46dioxo2sulfanylidenespiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carboxylate
ethyl7chloro13dimethyl46dioxo2thioxo1123444a6octahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
ethyl7chloro13dimethyl46dioxo2thioxo122344a46octahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)3(6H)carboxylate
InChI=1SC20H23ClN4O4Sc142919(28)2489251475613(21)12(14)1020(15(25)1124)16(26)22(2)18(30)23(3)17(20)27h5715H4811H213H3
MFCD08287551
ZINC000009410942
ZINC000009410943
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