Vitas-M small molecule compound

methyl 3-nitro-5-(pentan-2-ylcarbamoyl)benzoate

Catalog ID
STK077561
SMILES CCCC(NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])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/c1-4-5-9(2)15-13(17)10-6-11(14(18)21-3)8-12(7-10)16(19)20/h6-9H,4-5H2,1-3H3,(H,15,17)
InChIKey
MORNFVRCBGZSAH-UHFFFAOYSA-N
Synonyms
346714-10-1
346714101
CCCC(C)NC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCC(NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))C
InChI=1SC14H18N2O5c1459(2)1513(17)10611(14(18)213)812(710)16(19)20h69H45H213H3(H1517)
METHYL3(((1METHYLBUTYL)AMINO)CARBONYL)5NITROBENZOATE
METHYL3NITRO5(PENTAN2YLCARBAMOYL)BENZOATE
METHYL5(N(METHYLBUTYL)CARBAMOYL)3NITROBENZOATE
MFCD02006925
STK077561
ZINC000000449771
ZINC000000449772

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Available files

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