Vitas-M small molecule compound

methyl 2-amino-6,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate

Catalog ID
STK166853
SMILES COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)n(c(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 C18H17N3O6 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6/c1-9-8-12-14(17(22)20(9)2)13(15(16(19)27-12)18(23)26-3)10-4-6-11(7-5-10)21(24)25/h4-8,13H,19H2,1-3H3
InChIKey
LDXFXAVJQXAOLA-UHFFFAOYSA-N
Synonyms
758703-05-8
758703058
CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N1C
COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)n(c(c2)C)C
InChI=1SC18H17N3O6c1981214(17(22)20(9)2)13(15(16(19)2712)18(23)263)104611(7510)21(24)25h4813H19H213H3
METHYL(4S)2AMINO67DIMETHYL4(4NITROPHENYL)5OXO56DIHYDRO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
METHYL2AMINO67DIMETHYL4(4NITROPHENYL)5OXO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
METHYL2AMINO67DIMETHYL4(4NITROPHENYL)5OXO56DIHYDRO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
METHYL2AMINO67DIMETHYL4(4NITROPHENYL)5OXO6HYDRO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
MFCD06597156
ZINC000002206948
ZINC000002206949

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.