Vitas-M small molecule compound

methyl 4,5-dimethoxy-2-{[(2-methyl-5-nitro-1H-imidazol-1-yl)acetyl]amino}benzoate

Catalog ID
STK743561
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-])OC

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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 C16H18N4O7 MW 378.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O7/c1-9-17-7-15(20(23)24)19(9)8-14(21)18-11-6-13(26-3)12(25-2)5-10(11)16(22)27-4/h5-7H,8H2,1-4H3,(H,18,21)
InChIKey
CCKGEGIVZBIVFX-UHFFFAOYSA-N
Synonyms

CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)(N+)(=O)(O)
COC(=O)c1cc(OC)c(cc1NC(=O)Cn1c(C)ncc1(N+)(=O)(O))OC
InChI=1SC16H18N4O7c1917715(20(23)24)19(9)814(21)1811613(263)12(252)510(11)16(22)274h57H8H214H3(H1821)
methyl45dimethoxy2(((2methyl5nitro1Himidazol1yl)acetyl)amino)benzoate
METHYL45DIMETHOXY2((2(2METHYL5NITROIMIDAZOL1YL)ACETYL)AMINO)BENZOATE
MFCD05259405
ZINC000001423856
ZINC01423856
ZINC1423856

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Available files

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