Vitas-M small molecule compound
3-tert-butyl-4-nitro-1H-pyrazole-5-carboxylic acid
Catalog ID
STL236315
SMILES [O-][N+](=O)c1c([nH]nc1C(C)(C)C)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 C8H11N3O4 MW 213.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11N3O4/c1-8(2,3)6-5(11(14)15)4(7(12)13)9-10-6/h1-3H3,(H,9,10)(H,12,13)InChIKey
OLPKIOKCWXMRHE-UHFFFAOYSA-NSynonyms
1169568-35-7(O)(N+)(=O)c1c((nH)nc1C(C)(C)C)C(=O)O
1169568357
3(TERTBUTYL)4NITRO1HPYRAZOLE5CARBOXYLICACID
3tertbutyl4nitro1Hpyrazole5carboxylicacid
5TERTBUTYL4NITRO1HPYRAZOL3CARBOXYLICACID
5tertbutyl4nitro1Hpyrazole3carboxylicacid
CC(C)(C)C1=C(C(=NN1)C(=O)O)(N+)(=O)(O)
InChI=1SC8H11N3O4c18(23)65(11(14)15)4(7(12)13)9106h13H3(H910)(H1213)
MFCD17194176
ZINC000066442652
ZINC66442652
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