Vitas-M small molecule compound

N-(3-methylbutyl)-3,5-dinitrobenzamide

Catalog ID
STK980471
SMILES CC(CCNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])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 C12H15N3O5 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O5/c1-8(2)3-4-13-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,3-4H2,1-2H3,(H,13,16)
InChIKey
ACFBGDGZXHNKPG-UHFFFAOYSA-N
Synonyms
14402-05-2
(35DINITROPHENYL)N(3METHYLBUTYL)CARBOXAMIDE
14402052
35DINITRONISOPENTYLBENZAMIDE
CC(C)CCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))(N+)(=O)(O)
CC(CCNC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))C
InChI=1SC12H15N3O5c18(2)341312(16)9510(14(17)18)711(69)15(19)20h58H34H212H3(H1316)
MFCD02008002
N(3methylbutyl)35dinitrobenzamide
ZINC000002100507
ZINC02100507
ZINC2100507

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Available files

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