Vitas-M small molecule compound

(2,6-dimethylmorpholin-4-yl)(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STL399290
SMILES CC1OC(C)CN(C1)C(=O)c1nn(c(c1[N+](=O)[O-])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 C12H18N4O4 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O4/c1-7-5-15(6-8(2)20-7)12(17)10-11(16(18)19)9(3)14(4)13-10/h7-8H,5-6H2,1-4H3
InChIKey
LHVIBNSSQGCPFX-UHFFFAOYSA-N
Synonyms
1005576-73-7
(26DIMETHYLMORPHOLIN4YL)(15DIMETHYL4NITRO1HPYRAZOL3YL)METHANONE
(26dimethylmorpholin4yl)(15dimethyl4nitropyrazol3yl)methanone
1005576737
CC1CN(CC(O1)C)C(=O)C2=NN(C(=C2(N+)(=O)(O))C)C
CC1OC(C)CN(C1)C(=O)c1nn(c(c1(N+)(=O)(O))C)C
InChI=1SC12H18N4O4c17515(68(2)207)12(17)1011(16(18)19)9(3)14(4)1310h78H56H214H3
MFCD04043609
ZINC000002771134
ZINC000017971032

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Available files

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