Vitas-M small molecule compound
4-(4-{[(5-fluoro-2-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
Catalog ID
STK685582
SMILES O=C(Nc1cnn(c1)CCCC(=O)O)COc1cc(F)ccc1[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 C15H15FN4O6 MW 366.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15FN4O6/c16-10-3-4-12(20(24)25)13(6-10)26-9-14(21)18-11-7-17-19(8-11)5-1-2-15(22)23/h3-4,6-8H,1-2,5,9H2,(H,18,21)(H,22,23)InChIKey
YSYZTLPYTDFLKA-UHFFFAOYSA-NSynonyms
4(4(((5fluoro2nitrophenoxy)acetyl)amino)1Hpyrazol1yl)butanoicacid
4(4((2(5FLUORO2NITROPHENOXY)ACETYL)AMINO)PYRAZOL1YL)BUTANOICACID
C1=CC(=C(C=C1F)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)(N+)(=O)(O)
InChI=1SC15H15FN4O6c16103412(20(24)25)13(610)26914(21)181171719(811)51215(22)23h3468H1259H2(H1821)(H2223)
MFCD05859633
O=C(Nc1cnn(c1)CCCC(=O)O)COc1cc(F)ccc1(N+)(=O)(O)
ZINC000004593712
ZINC4593712
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