Vitas-M small molecule compound
2-[3-(4,4-dichloro-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-oxopropyl]icosanoic acid
Catalog ID
STK379087
SMILES CCCCCCCCCCCCCCCCCCC(C(=O)O)CC(=O)CC1=NN(C(=O)C1(Cl)Cl)c1ccccc1
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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 C32H48Cl2N2O4 MW 595.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48Cl2N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(30(38)39)24-28(37)25-29-32(33,34)31(40)36(35-29)27-22-19-17-20-23-27/h17,19-20,22-23,26H,2-16,18,21,24-25H2,1H3,(H,38,39)InChIKey
PXJUPOIBJZNVCK-UHFFFAOYSA-NSynonyms
2(3(44DICHLORO5OXO1PHENYL(2PYRAZOLIN3YL))2OXOPROPYL)ICOSANOICACID
2(3(44dichloro5oxo1phenyl45dihydro1Hpyrazol3yl)2oxopropyl)icosanoicacid
2(3(44DICHLORO5OXO1PHENYLPYRAZOL3YL)2OXOPROPYL)ICOSANOICACID
CCCCCCCCCCCCCCCCCCC(CC(=O)CC1=NN(C(=O)C1(Cl)Cl)C2=CC=CC=C2)C(=O)O
InChI=1SC32H48Cl2N2O4c12345678910111213141516182126(30(38)39)2428(37)252932(3334)31(40)36(3529)27221917202327h171920222326H21618212425H21H3(H3839)
MFCD01825537
ZINC000100663512
ZINC000100663514
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