Vitas-M small molecule compound

methyl 1-[2-(dimethylamino)-2-oxoethyl]-3-nitro-1H-pyrazole-5-carboxylate

Catalog ID
STL414816
SMILES COC(=O)c1cc(nn1CC(=O)N(C)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 C9H12N4O5 MW 256.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4O5/c1-11(2)8(14)5-12-6(9(15)18-3)4-7(10-12)13(16)17/h4H,5H2,1-3H3
InChIKey
BNVFSUIYDNSCPJ-UHFFFAOYSA-N
Synonyms
1245823-34-0
1245823340
CN(C)C(=O)CN1C(=CC(=N1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(nn1CC(=O)N(C)C)(N+)(=O)(O)
InChI=1SC9H12N4O5c111(2)8(14)5126(9(15)183)47(1012)13(16)17h4H5H213H3
METHYL1((NNDIMETHYLCARBAMOYL)METHYL)3NITROPYRAZOLE5CARBOXYLATE
methyl1(2(dimethylamino)2oxoethyl)3nitro1Hpyrazole5carboxylate
methyl2(2(dimethylamino)2oxoethyl)5nitropyrazole3carboxylate
MFCD15976356
ZINC000072336333
ZINC72336333

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Available files

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