Vitas-M small molecule compound
4-(4-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1H-pyrazol-1-yl)butanoic acid
Catalog ID
STK688339
SMILES OC(=O)CCCn1ncc(c1)NC(=O)/C=C/c1cccc(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 C16H16N4O5 MW 344.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5/c21-15(7-6-12-3-1-4-14(9-12)20(24)25)18-13-10-17-19(11-13)8-2-5-16(22)23/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,21)(H,22,23)/b7-6+InChIKey
IOILEJMZAZIPHQ-VOTSOKGWSA-NSynonyms
4(4(((2E)3(3nitrophenyl)prop2enoyl)amino)1Hpyrazol1yl)butanoicacid
4(4(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)PYRAZOL1YL)BUTANOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NC2=CN(N=C2)CCCC(=O)O
InChI=1SC16H16N4O5c2115(761231414(912)20(24)25)1813101719(1113)82516(22)23h13467911H258H2(H1821)(H2223)b76+
MFCD07657338
OC(=O)CCCn1ncc(c1)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000004772572
ZINC4772572
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