Vitas-M small molecule compound
ethyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Catalog ID
STK284940
SMILES CCOC(=O)C1=C2C(=O)NCCN2C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2
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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 C21H21ClN2O4 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4/c1-2-28-21(27)18-16(12-6-8-13(22)9-7-12)17-14(4-3-5-15(17)25)24-11-10-23-20(26)19(18)24/h6-9,16H,2-5,10-11H2,1H3,(H,23,26)InChIKey
FLVPQFQVSORZSN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2C(=O)NCCN2C3=C(C1C4=CC=C(C=C4)Cl)C(=O)CCC3
ethyl6(4chlorophenyl)47dioxo234678910octahydro1Hpyrazino(12a)quinoline5carboxylate
ethyl6(4chlorophenyl)47dioxo2368910hexahydro1Hpyrazino(12a)quinoline5carboxylate
InChI=1SC21H21ClN2O4c122821(27)1816(126813(22)9712)1714(43515(17)25)2411102320(26)19(18)24h6916H251011H21H3(H2326)
MFCD08573168
ZINC000009926624
ZINC000009926625
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