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Vitas-M small molecule compound

3,3-dimethyl-N-(2-methyl-3-nitrophenyl)butanamide

Catalog ID
STK085233
SMILES O=C(Nc1cccc(c1C)[N+](=O)[O-])CC(C)(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 C13H18N2O3 MW 250.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O3/c1-9-10(6-5-7-11(9)15(17)18)14-12(16)8-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKey
PPVHWUVBCFXSOP-UHFFFAOYSA-N
Synonyms
349437-57-6
33DIMETHYLN(2METHYL3NITROPHENYL)BUTANAMIDE
349437576
CC1=C(C=CC=C1(N+)(=O)(O))NC(=O)CC(C)(C)C
InChI=1SC13H18N2O3c1910(65711(9)15(17)18)1412(16)813(23)4h57H8H214H3(H1416)
MFCD02861128
O=C(Nc1cccc(c1C)(N+)(=O)(O))CC(C)(C)C
STK085233
ZINC000002843964
ZINC02843964
ZINC2843964

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Available files

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

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