Vitas-M small molecule compound

2-{2-oxo-2-[(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)amino]ethyl}icosanoic acid

Catalog ID
STK366122
SMILES CCCCCCCCCCCCCCCCCCC(C(=O)O)CC(=O)NC1=NN(C(=O)C1)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 C31H49N3O4 MW 527.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(31(37)38)24-29(35)32-28-25-30(36)34(33-28)27-22-19-17-20-23-27/h17,19-20,22-23,26H,2-16,18,21,24-25H2,1H3,(H,37,38)(H,32,33,35)
InChIKey
SUQOUTWTBDDPGD-UHFFFAOYSA-N
Synonyms
28993-73-9
2((5OXO1PHENYL45DIHYDRO1HPYRAZOL3YLCARBAMOYL)METHYL)ICOSANOICACID
2((N(5OXO1PHENYL2PYRAZOLIN3YL)CARBAMOYL)METHYL)ICOSANOICACID
2(2oxo2((5oxo1phenyl45dihydro1Hpyrazol3yl)amino)ethyl)icosanoicacid
2(2OXO2((5OXO1PHENYL4HPYRAZOL3YL)AMINO)ETHYL)ICOSANOICACID
28993739
CCCCCCCCCCCCCCCCCCC(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O
InChI=1SC31H49N3O4c12345678910111213141516182126(31(37)38)2429(35)32282530(36)34(3328)27221917202327h171920222326H21618212425H21H3(H3738)(H323335)
MFCD00317285
ZINC000100725386
ZINC000100725389

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.