Vitas-M small molecule compound

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

Catalog ID
STL397074
SMILES O=C(Nc1ccc(cc1)C(=O)O)CCn1ccc(n1)[N+](=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 C13H12N4O5 MW 304.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5/c18-12(6-8-16-7-5-11(15-16)17(21)22)14-10-3-1-9(2-4-10)13(19)20/h1-5,7H,6,8H2,(H,14,18)(H,19,20)
InChIKey
BRBXNVVKQUAQKA-UHFFFAOYSA-N
Synonyms
1005620-82-5
1005620825
4((3(3NITRO1HPYRAZOL1YL)PROPANOYL)AMINO)BENZOICACID
4(3(3nitropyrazol1yl)propanoylamino)benzoicacid
4(3(3NITROPYRAZOLYL)PROPANOYLAMINO)BENZOICACID
C1=CC(=CC=C1C(=O)O)NC(=O)CCN2C=CC(=N2)(N+)(=O)(O)
InChI=1SC13H12N4O5c1812(68167511(1516)17(21)22)1410319(2410)13(19)20h157H68H2(H1418)(H1920)
MFCD04137634
O=C(Nc1ccc(cc1)C(=O)O)CCn1ccc(n1)(N+)(=O)(O)
ZINC000002809133
ZINC2809133

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Available files

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