Vitas-M small molecule compound

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

Catalog ID
STK311571
SMILES COc1nn(cc1[N+](=O)[O-])CCC(=O)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 C14H14N4O6 MW 334.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O6/c1-24-13-11(18(22)23)8-17(16-13)7-6-12(19)15-10-4-2-9(3-5-10)14(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)(H,20,21)
InChIKey
WKRZTZVLKLGHJL-UHFFFAOYSA-N
Synonyms
1005660-81-0
1005660810
4((3(3methoxy4nitro1Hpyrazol1yl)propanoyl)amino)benzoicacid
4(3(3methoxy4nitropyrazol1yl)propanoylamino)benzoicacid
COC1=NN(C=C1(N+)(=O)(O))CCC(=O)NC2=CC=C(C=C2)C(=O)O
COc1nn(cc1(N+)(=O)(O))CCC(=O)Nc1ccc(cc1)C(=O)O
InChI=1SC14H14N4O6c1241311(18(22)23)817(1613)7612(19)1510429(3510)14(20)21h258H67H21H3(H1519)(H2021)
MFCD04138247
ZINC000002809738
ZINC2809738

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Available files

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