Vitas-M small molecule compound

3-bromo-N-(pentan-3-yl)benzamide

Catalog ID
STK079596
SMILES CCC(NC(=O)c1cccc(c1)Br)CC

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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 C12H16BrNO MW 270.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16BrNO/c1-3-11(4-2)14-12(15)9-6-5-7-10(13)8-9/h5-8,11H,3-4H2,1-2H3,(H,14,15)
InChIKey
SOFVIJAAWIYFJN-UHFFFAOYSA-N
Synonyms
349614-99-9
(3BROMOPHENYL)N(ETHYLPROPYL)CARBOXAMIDE
349614999
3BROMON(1ETHYLPROPYL)BENZAMIDE
3BROMON(PENTAN3YL)BENZAMIDE
3BROMONPENTAN3YLBENZAMIDE
BENZAMIDE3BROMON(1ETHYLPROPYL)
CCC(CC)NC(=O)C1=CC(=CC=C1)Br
CCC(NC(=O)c1cccc(c1)Br)CC
InChI=1SC12H16BrNOc1311(42)1412(15)965710(13)89h5811H34H212H3(H1415)
MFCD02861956
STK079596
ZINC000000456918
ZINC00456918
ZINC456918

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Available files

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