Vitas-M small molecule compound

N-[2,2,2-trichloro-1-(2,4-dinitrophenoxy)ethyl]butanamide

Catalog ID
STK808400
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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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 C12H12Cl3N3O6 MW 400.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12Cl3N3O6/c1-2-3-10(19)16-11(12(13,14)15)24-9-5-4-7(17(20)21)6-8(9)18(22)23/h4-6,11H,2-3H2,1H3,(H,16,19)
InChIKey
GQVRDTOLEUVGMT-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O)
CCCC(=O)NC(C(Cl)(Cl)Cl)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H12Cl3N3O6c12310(19)1611(12(1314)15)249547(17(20)21)68(9)18(22)23h4611H23H21H3(H1619)
MFCD00630313
N(1(24DINITROPHENOXY)222TRICHLOROETHYL)BUTANAMIDE
N(222trichloro1(24dinitrophenoxy)ethyl)butanamide
N(222TRICHLORO1(24DINITROPHENOXY)ETHYL)BUTYRAMIDE
ZINC000003018980
ZINC000003018982

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Available files

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