Vitas-M small molecule compound
4-(4-methylphenyl)-4-oxo-2-(1H-pyrazol-1-yl)butanoic acid
Catalog ID
STK943770
SMILES OC(=O)C(n1cccn1)CC(=O)c1ccc(cc1)C
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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 C14H14N2O3 MW 258.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)13(17)9-12(14(18)19)16-8-2-7-15-16/h2-8,12H,9H2,1H3,(H,18,19)InChIKey
HHYKCEFFPDIUQR-UHFFFAOYSA-NSynonyms
4(4methylphenyl)4oxo2(1Hpyrazol1yl)butanoicacid
4(4METHYLPHENYL)4OXO2PYRAZOL1YLBUTANOICACID
CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=CC=N2
InChI=1SC14H14N2O3c1103511(6410)13(17)912(14(18)19)168271516h2812H9H21H3(H1819)
MFCD03900331
ZINC000004125027
ZINC000004125028
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