Vitas-M small molecule compound

methyl 4-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}benzoate

Catalog ID
STK776387
SMILES COC(=O)c1ccc(cc1)NC(=O)CCCn1ncc(c1)[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 C15H16N4O5 MW 332.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O5/c1-24-15(21)11-4-6-12(7-5-11)17-14(20)3-2-8-18-10-13(9-16-18)19(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,17,20)
InChIKey
XTXRIXXBXBCNRQ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C=C(C=N2)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NC(=O)CCCn1ncc(c1)(N+)(=O)(O)
InChI=1SC15H16N4O5c12415(21)114612(7511)1714(20)328181013(91618)19(22)23h47910H238H21H3(H1720)
methyl4((4(4nitro1Hpyrazol1yl)butanoyl)amino)benzoate
METHYL4(4(4NITROPYRAZOL1YL)BUTANOYLAMINO)BENZOATE
METHYL4(4(4NITROPYRAZOLYL)BUTANOYLAMINO)BENZOATE
MFCD05258953
ZINC000001423409
ZINC01423409
ZINC1423409

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.