Vitas-M small molecule compound

methyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK089262
SMILES COc1ccc(c(c1)OC)NC(=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 C17H16N2O7 MW 360.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O7/c1-24-13-4-5-14(15(9-13)25-2)18-16(20)10-6-11(17(21)26-3)8-12(7-10)19(22)23/h4-9H,1-3H3,(H,18,20)
InChIKey
ZJQCUQZKJGVMOB-UHFFFAOYSA-N
Synonyms
328284-49-7
328284497
COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)OC
COc1ccc(c(c1)OC)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC17H16N2O7c124134514(15(913)252)1816(20)10611(17(21)263)812(710)19(22)23h49H13H3(H1820)
METHYL3((24DIMETHOXYPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(24DIMETHOXYPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196902
STK089262
ZINC000001097969
ZINC01097969
ZINC1097969

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Available files

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