Vitas-M small molecule compound
ethyl 4-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate
Catalog ID
STK780373
SMILES CCOC(=O)N1CCN(CC1)c1cc(c(cc1[N+](=O)[O-])F)N1CCc2c(C1)cccc2
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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 C22H25FN4O4 MW 428.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN4O4/c1-2-31-22(28)25-11-9-24(10-12-25)20-14-19(18(23)13-21(20)27(29)30)26-8-7-16-5-3-4-6-17(16)15-26/h3-6,13-14H,2,7-12,15H2,1H3InChIKey
MKVPCRMOXIVQKM-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)c1cc(c(cc1(N+)(=O)(O))F)N1CCc2c(C1)cccc2
CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))F)N3CCC4=CC=CC=C4C3
ETHYL4(5(34DIHYDRO1HISOQUINOLIN2YL)4FLUORO2NITROPHENYL)PIPERAZINE1CARBOXYLATE
ethyl4(5(34dihydroisoquinolin2(1H)yl)4fluoro2nitrophenyl)piperazine1carboxylate
InChI=1SC22H25FN4O4c123122(28)2511924(101225)201419(18(23)1321(20)27(29)30)268716534617(16)1526h361314H271215H21H3
MFCD05860327
ZINC000012413572
ZINC12413572
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