Vitas-M small molecule compound

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

Catalog ID
STK166874
SMILES COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)n(c(c2)C)Cc1ccco1

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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 C22H19N3O7 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O7/c1-12-10-16-18(21(26)24(12)11-15-4-3-9-31-15)17(19(20(23)32-16)22(27)30-2)13-5-7-14(8-6-13)25(28)29/h3-10,17H,11,23H2,1-2H3
InChIKey
XFYNXBLVOZKKLH-UHFFFAOYSA-N
Synonyms
758703-47-8
758703478
CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)N1CC4=CC=CO4
COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)(N+)(=O)(O))c(=O)n(c(c2)C)Cc1ccco1
InChI=1SC22H19N3O7c112101618(21(26)24(12)11154393115)17(19(20(23)3216)22(27)302)135714(8613)25(28)29h31017H1123H212H3
METHYL2AMINO6(2FURYLMETHYL)7METHYL4(4NITROPHENYL)5OXO6HYDRO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
METHYL2AMINO6(FURAN2YLMETHYL)7METHYL4(4NITROPHENYL)5OXO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
METHYL2AMINO6(FURAN2YLMETHYL)7METHYL4(4NITROPHENYL)5OXO56DIHYDRO4HPYRANO(32C)PYRIDINE3CARBOXYLATE
MFCD06612287
ZINC000002357458
ZINC000002357460

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Available files

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