Vitas-M small molecule compound

N-(3-chloro-4-cyanophenyl)-3-methylbutanamide

Catalog ID
STK068162
SMILES N#Cc1ccc(cc1Cl)NC(=O)CC(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 C12H13ClN2O MW 236.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13ClN2O/c1-8(2)5-12(16)15-10-4-3-9(7-14)11(13)6-10/h3-4,6,8H,5H2,1-2H3,(H,15,16)
InChIKey
MFGMFSKLDNJQCZ-UHFFFAOYSA-N
Synonyms

CC(C)CC(=O)NC1=CC(=C(C=C1)C#N)Cl
InChI=1SC12H13ClN2Oc18(2)512(16)1510439(714)11(13)610h3468H5H212H3(H1516)
MFCD02861256
N#Cc1ccc(cc1Cl)NC(=O)CC(C)C
N(3CHLORO4CYANOPHENYL)3METHYLBUTANAMIDE
STK068162
ZINC000004524507
ZINC04524507
ZINC4524507

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Available files

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