Vitas-M small molecule compound

methyl 3-[(4-methoxybenzyl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK072961
SMILES COc1ccc(cc1)CNC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]

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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/c1-24-15-5-3-11(4-6-15)10-18-16(20)12-7-13(17(21)25-2)9-14(8-12)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey
TTZKNLZCKAIGHF-UHFFFAOYSA-N
Synonyms
329931-85-3
329931853
COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COc1ccc(cc1)CNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC17H16N2O6c124155311(4615)101816(20)12713(17(21)252)914(812)19(22)23h39H10H212H3(H1820)
METHYL3((4METHOXYBENZYL)CARBAMOYL)5NITROBENZOATE
METHYL3((4METHOXYPHENYL)METHYLCARBAMOYL)5NITROBENZOATE
METHYL5(N((4METHOXYPHENYL)METHYL)CARBAMOYL)3NITROBENZOATE
MFCD01196914
STK072961
ZINC000000183862
ZINC00183862
ZINC183862

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Available files

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