Vitas-M small molecule compound

butyl 4-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}benzoate

Catalog ID
STL390110
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)Cn1ncc(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 C16H18N4O5 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5/c1-2-3-8-25-16(22)12-4-6-13(7-5-12)18-15(21)11-19-10-14(9-17-19)20(23)24/h4-7,9-10H,2-3,8,11H2,1H3,(H,18,21)
InChIKey
GMEIUHZHNQBKLS-UHFFFAOYSA-N
Synonyms
1005597-26-1
1005597261
butyl4(((4nitro1Hpyrazol1yl)acetyl)amino)benzoate
butyl4((2(4nitropyrazol1yl)acetyl)amino)benzoate
BUTYL4(2(4NITROPYRAZOLYL)ACETYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C=N2)(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)NC(=O)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC16H18N4O5c12382516(22)124613(7512)1815(21)11191014(91719)20(23)24h47910H23811H21H3(H1821)
MFCD03071675
ZINC000002762591
ZINC02762591
ZINC2762591

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Available files

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