Vitas-M small molecule compound
methyl 6-(3-hydroxyphenyl)-9,9-dimethyl-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Catalog ID
STK250518
SMILES COC(=O)C1=C2C(=O)NCCN2C2=C(C1c1cccc(c1)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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-22(2)10-14-17(15(26)11-22)16(12-5-4-6-13(25)9-12)18(21(28)29-3)19-20(27)23-7-8-24(14)19/h4-6,9,16,25H,7-8,10-11H2,1-3H3,(H,23,27)InChIKey
PHVOCIXYBIQQKE-UHFFFAOYSA-NSynonyms
880068-78-0880068780
CC1(CC2=C(C(C(=C3N2CCNC3=O)C(=O)OC)C4=CC(=CC=C4)O)C(=O)C1)C
InChI=1SC22H24N2O5c122(2)101417(15(26)1122)16(1254613(25)912)18(21(28)293)1920(27)237824(14)19h4691625H781011H213H3(H2327)
methyl6(3hydroxyphenyl)99dimethyl47dioxo1236810hexahydropyrazino(12a)quinoline5carboxylate
methyl6(3hydroxyphenyl)99dimethyl47dioxo234678910octahydro1Hpyrazino(12a)quinoline5carboxylate
MFCD07186023
ZINC000006624076
ZINC000006624077
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