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Vitas-M small molecule compound

3-methyl-N-(4-methyl-2-nitrophenyl)butanamide

Catalog ID
STK148256
SMILES CC(CC(=O)Nc1ccc(cc1[N+](=O)[O-])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 C12H16N2O3 MW 236.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O3/c1-8(2)6-12(15)13-10-5-4-9(3)7-11(10)14(16)17/h4-5,7-8H,6H2,1-3H3,(H,13,15)
InChIKey
IOEYYIUAGUMBDH-UHFFFAOYSA-N
Synonyms
432536-98-6
3METHYLN(4METHYL2NITROPHENYL)BUTANAMIDE
432536986
CC(CC(=O)Nc1ccc(cc1(N+)(=O)(O))C)C
CC1=CC(=C(C=C1)NC(=O)CC(C)C)(N+)(=O)(O)
InChI=1SC12H16N2O3c18(2)612(15)1310549(3)711(10)14(16)17h4578H6H213H3(H1315)
MFCD03065490
ZINC000004689108
ZINC04689108
ZINC4689108

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Available files

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

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