Vitas-M small molecule compound
methyl 2-amino-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK096552
SMILES COC(=O)C1=C(N)OC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2
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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 C17H16N2O6 MW 344.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6/c1-24-17(21)15-13(9-4-2-5-10(8-9)19(22)23)14-11(20)6-3-7-12(14)25-16(15)18/h2,4-5,8,13H,3,6-7,18H2,1H3InChIKey
CASIIJPPNUDTTI-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N)OC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2
COC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CCC2)N
InChI=1SC17H16N2O6c12417(21)1513(942510(89)19(22)23)1411(20)63712(14)2516(15)18h245813H36718H21H3
methyl2amino4(3nitrophenyl)5oxo4678tetrahydrochromene3carboxylate
methyl2amino4(3nitrophenyl)5oxo5678tetrahydro4Hchromene3carboxylate
MFCD01100959
STK096552
ZINC000000203806
ZINC000000203808
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Check stock on Vitas-MAvailable files
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