Vitas-M small molecule compound

(2,6-dimethylmorpholin-4-yl)(1-ethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STL402295
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)N1CC(C)OC(C1)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 C12H18N4O4 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O4/c1-4-15-7-10(16(18)19)11(13-15)12(17)14-5-8(2)20-9(3)6-14/h7-9H,4-6H2,1-3H3
InChIKey
NYAUHBBSMFPXIB-UHFFFAOYSA-N
Synonyms
1005558-80-4
(26dimethylmorpholin4yl)(1ethyl4nitro1Hpyrazol3yl)methanone
(26dimethylmorpholin4yl)(1ethyl4nitropyrazol3yl)methanone
1005558804
CCN1C=C(C(=N1)C(=O)N2CC(OC(C2)C)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)N1CC(C)OC(C1)C
InChI=1SC12H18N4O4c1415710(16(18)19)11(1315)12(17)1458(2)209(3)614h79H46H213H3
MFCD04042498
ZINC000002777677
ZINC000018084004

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Available files

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