Vitas-M small molecule compound

methyl 9,9-dimethyl-6-(4-nitrophenyl)-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate

Catalog ID
STK262998
SMILES COC(=O)C1=C2C(=O)NCCN2C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c1-22(2)10-14-17(15(26)11-22)16(12-4-6-13(7-5-12)25(29)30)18(21(28)31-3)19-20(27)23-8-9-24(14)19/h4-7,16H,8-11H2,1-3H3,(H,23,27)
InChIKey
FJZXJAINKNIDOC-UHFFFAOYSA-N
Synonyms
880068-57-5
880068575
CC1(CC2=C(C(C(=C3N2CCNC3=O)C(=O)OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
COC(=O)C1=C2C(=O)NCCN2C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC22H23N3O6c122(2)101417(15(26)1122)16(124613(7512)25(29)30)18(21(28)313)1920(27)238924(14)19h4716H811H213H3(H2327)
methyl99dimethyl6(4nitrophenyl)47dioxo1236810hexahydropyrazino(12a)quinoline5carboxylate
methyl99dimethyl6(4nitrophenyl)47dioxo234678910octahydro1Hpyrazino(12a)quinoline5carboxylate
MFCD07186020
ZINC000013625177
ZINC000013625179

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Available files

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