Vitas-M small molecule compound
ethyl 4-{4-fluoro-2-nitro-5-[(tetrahydrofuran-2-ylmethyl)amino]phenyl}piperazine-1-carboxylate
Catalog ID
STK780459
SMILES CCOC(=O)N1CCN(CC1)c1cc(NCC2CCCO2)c(cc1[N+](=O)[O-])F
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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 C18H25FN4O5 MW 396.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25FN4O5/c1-2-27-18(24)22-7-5-21(6-8-22)16-11-15(14(19)10-17(16)23(25)26)20-12-13-4-3-9-28-13/h10-11,13,20H,2-9,12H2,1H3InChIKey
KQLOLXZEZBKSHQ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)c1cc(NCC2CCCO2)c(cc1(N+)(=O)(O))F
CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2(N+)(=O)(O))F)NCC3CCCO3
ethyl4(4fluoro2nitro5((tetrahydrofuran2ylmethyl)amino)phenyl)piperazine1carboxylate
ETHYL4(4FLUORO2NITRO5(OXOLAN2YLMETHYLAMINO)PHENYL)PIPERAZINE1CARBOXYLATE
InChI=1SC18H25FN4O5c122718(24)227521(6822)161115(14(19)1017(16)23(25)26)2012134392813h10111320H2912H21H3
MFCD05860421
ZINC000004622502
ZINC000004622503
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