Vitas-M small molecule compound

5-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid

Catalog ID
STK010096
SMILES [O-][N+](=O)c1nn(cc1Br)Cc1ccc(o1)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 C9H6BrN3O5 MW 316.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6BrN3O5/c10-6-4-12(11-8(6)13(16)17)3-5-1-2-7(18-5)9(14)15/h1-2,4H,3H2,(H,14,15)
InChIKey
RLWQKLOXFLKEPV-UHFFFAOYSA-N
Synonyms
512809-85-7
(O)(N+)(=O)c1nn(cc1Br)Cc1ccc(o1)C(=O)O
5((4BROMO3NITRO1HPYRAZOL1YL)METHYL)2FUROICACID
5((4BROMO3NITRO1HPYRAZOL1YL)METHYL)FURAN2CARBOXYLICACID
5((4BROMO3NITROPYRAZOL1YL)METHYL)FURAN2CARBOXYLICACID
5((4BROMO3NITROPYRAZOLYL)METHYL)FURAN2CARBOXYLICACID
5(4BROMO3NITROPYRAZOL1YLMETHYL)FURAN2CARBOXYLICACID
512809857
C1=C(OC(=C1)C(=O)O)CN2C=C(C(=N2)(N+)(=O)(O))Br
InChI=1SC9H6BrN3O5c106412(118(6)13(16)17)35127(185)9(14)15h124H3H2(H1415)
MFCD02253727
STK010096
ZINC000000039408
ZINC39408

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Available files

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