Vitas-M small molecule compound
methyl 2-amino-1-(2-fluorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK674014
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)c1ccccc1F
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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 C23H20FN3O5 MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O5/c1-32-23(29)21-19(13-9-11-14(12-10-13)27(30)31)20-17(7-4-8-18(20)28)26(22(21)25)16-6-3-2-5-15(16)24/h2-3,5-6,9-12,19H,4,7-8,25H2,1H3InChIKey
FMVYLBAOQNDNNP-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CCC2)C4=CC=CC=C4F)N
COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1ccccc1F
InChI=1SC23H20FN3O5c13223(29)2119(1391114(121013)27(30)31)2017(74818(20)28)26(22(21)25)16632515(16)24h235691219H47825H21H3
methyl2amino1(2fluorophenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2amino1(2fluorophenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carboxylate
MFCD01239742
ZINC000001059461
ZINC000001059463
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