Vitas-M small molecule compound

N,N-di(butan-2-yl)-2-chloro-4-nitrobenzamide

Catalog ID
STK421096
SMILES CCC(N(C(=O)c1ccc(cc1Cl)[N+](=O)[O-])C(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 C15H21ClN2O3 MW 312.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21ClN2O3/c1-5-10(3)17(11(4)6-2)15(19)13-8-7-12(18(20)21)9-14(13)16/h7-11H,5-6H2,1-4H3
InChIKey
SLRJBZHEEZKASA-UHFFFAOYSA-N
Synonyms
51186-25-5
(2CHLORO4NITROPHENYL)NNBIS(METHYLPROPYL)CARBOXAMIDE
51186255
CCC(C)N(C(C)CC)C(=O)C1=C(C=C(C=C1)(N+)(=O)(O))Cl
CCC(N(C(=O)c1ccc(cc1Cl)(N+)(=O)(O))C(CC)C)C
InChI=1SC15H21ClN2O3c1510(3)17(11(4)62)15(19)138712(18(20)21)914(13)16h711H56H214H3
MFCD02174438
NNdi(butan2yl)2chloro4nitrobenzamide
NNDI(SECBUTYL)2CHLORO4NITROBENZAMIDE
ZINC000000474523
ZINC000016226011

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Available files

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