Vitas-M small molecule compound

4-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]amino}benzoic acid

Catalog ID
STL399575
SMILES O=C(C(n1nc(cc1C)[N+](=O)[O-])C)Nc1ccc(cc1)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 C14H14N4O5 MW 318.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O5/c1-8-7-12(18(22)23)16-17(8)9(2)13(19)15-11-5-3-10(4-6-11)14(20)21/h3-7,9H,1-2H3,(H,15,19)(H,20,21)
InChIKey
JGKWVYOQVXBESL-UHFFFAOYSA-N
Synonyms
1005623-36-8
1005623368
4((2(5METHYL3NITRO1HPYRAZOL1YL)PROPANOYL)AMINO)BENZOICACID
4(2(5methyl3nitropyrazol1yl)propanoylamino)benzoicacid
CC1=CC(=NN1C(C)C(=O)NC2=CC=C(C=C2)C(=O)O)(N+)(=O)(O)
InChI=1SC14H14N4O5c18712(18(22)23)1617(8)9(2)13(19)15115310(4611)14(20)21h379H12H3(H1519)(H2021)
MFCD04140032
O=C(C(n1nc(cc1C)(N+)(=O)(O))C)Nc1ccc(cc1)C(=O)O
ZINC000002730808
ZINC000002730809

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Available files

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