Vitas-M small molecule compound

(2,6-dimethylmorpholin-4-yl)(1-ethyl-4-nitro-1H-pyrazol-5-yl)methanone

Catalog ID
STK303505
SMILES CCn1ncc(c1C(=O)N1CC(C)OC(C1)C)[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 C12H18N4O4 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O4/c1-4-15-11(10(5-13-15)16(18)19)12(17)14-6-8(2)20-9(3)7-14/h5,8-9H,4,6-7H2,1-3H3
InChIKey
FGWZZRADXZHFBA-UHFFFAOYSA-N
Synonyms
1005558-66-6
(26dimethylmorpholin4yl)(1ethyl4nitro1Hpyrazol5yl)methanone
(26DIMETHYLMORPHOLIN4YL)(2ETHYL4NITROPYRAZOL3YL)METHANONE
1005558666
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)N2CC(OC(C2)C)C
CCn1ncc(c1C(=O)N1CC(C)OC(C1)C)(N+)(=O)(O)
InChI=1SC12H18N4O4c141511(10(51315)16(18)19)12(17)1468(2)209(3)714h589H467H213H3
MFCD04044920
ZINC000002777558
ZINC000017920583

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Available files

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