Vitas-M small molecule compound

5-ethoxy-4-nitro-1H-pyrazole-3-carboxylic acid

Catalog ID
STL406656
SMILES CCOc1[nH]nc(c1[N+](=O)[O-])C(=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 C6H7N3O5 MW 201.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H7N3O5/c1-2-14-5-4(9(12)13)3(6(10)11)7-8-5/h2H2,1H3,(H,7,8)(H,10,11)
InChIKey
BIRMXKBYQVCDSU-UHFFFAOYSA-N
Synonyms
400878-02-6
3ethoxy4nitro1Hpyrazole5carboxylicacid
400878026
5ethoxy4nitro1Hpyrazole3carboxylicacid
CCOc1(nH)nc(c1(N+)(=O)(O))C(=O)O
CCOC1=NNC(=C1(N+)(=O)(O))C(=O)O
InChI=1SC6H7N3O5c121454(9(12)13)3(6(10)11)785h2H21H3(H78)(H1011)
MFCD18809606
ZINC000039084933
ZINC39084933

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Available files

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