Vitas-M small molecule compound

1-ethyl-4-nitro-1H-pyrazole-3-carboxylic acid

Catalog ID
STK346688
SMILES CCn1nc(c(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 C6H7N3O4 MW 185.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H7N3O4/c1-2-8-3-4(9(12)13)5(7-8)6(10)11/h3H,2H2,1H3,(H,10,11)
InChIKey
SPZXMOFHJNSAAS-UHFFFAOYSA-N
Synonyms
401906-11-4
1ETHYL4NITRO1HPYRAZOLE3CARBOXYLICACID
1ETHYL4NITROPYRAZOLE3CARBOXYLICACID
1HPYRAZOLE3CARBOXYLICACID1ETHYL4NITRO
401906114
CCN1C=C(C(=N1)C(=O)O)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)O
InChI=1SC6H7N3O4c12834(9(12)13)5(78)6(10)11h3H2H21H3(H1011)
MFCD02090836
ZINC000004255809
ZINC4255809

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Available files

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