Vitas-M small molecule compound

methyl 3-[(2-methylbutan-2-yl)carbamoyl]-5-nitrobenzoate

Catalog ID
STK159108
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(CC)(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 C14H18N2O5 MW 294.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O5/c1-5-14(2,3)15-12(17)9-6-10(13(18)21-4)8-11(7-9)16(19)20/h6-8H,5H2,1-4H3,(H,15,17)
InChIKey
GPBVREGFDLKKCX-UHFFFAOYSA-N
Synonyms
701228-04-8
701228048
CCC(C)(C)NC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NC(CC)(C)C
InChI=1SC14H18N2O5c1514(23)1512(17)9610(13(18)214)811(79)16(19)20h68H5H214H3(H1517)
METHYL3(((11DIMETHYLPROPYL)AMINO)CARBONYL)5NITROBENZOATE
METHYL3((2METHYLBUTAN2YL)CARBAMOYL)5NITROBENZOATE
METHYL3(2METHYLBUTAN2YLCARBAMOYL)5NITROBENZOATE
METHYL5(N(11DIMETHYLPROPYL)CARBAMOYL)3NITROBENZOATE
MFCD03965649
ZINC000000620100
ZINC00620100
ZINC620100

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Available files

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