Vitas-M small molecule compound

methyl N-[(2,4-dinitrophenyl)carbonyl]valinate

Catalog ID
STK427690
SMILES COC(=O)C(C(C)C)NC(=O)c1ccc(cc1[N+](=O)[O-])[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 C13H15N3O7 MW 325.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O7/c1-7(2)11(13(18)23-3)14-12(17)9-5-4-8(15(19)20)6-10(9)16(21)22/h4-7,11H,1-3H3,(H,14,17)
InChIKey
XYXYDSXHWSNXON-UHFFFAOYSA-N
Synonyms

CC(C)C(C(=O)OC)NC(=O)C1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)C(C(C)C)NC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H15N3O7c17(2)11(13(18)233)1412(17)9548(15(19)20)610(9)16(21)22h4711H13H3(H1417)
METHYL2((24DINITROBENZOYL)AMINO)3METHYLBUTANOATE
METHYL2((24DINITROPHENYL)CARBONYLAMINO)3METHYLBUTANOATE
methylN((24dinitrophenyl)carbonyl)valinate
MFCD00813614
ZINC000002779481
ZINC000002779482

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Available files

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