Vitas-M small molecule compound
(8E)-2-{2-oxo-2-[(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)amino]ethyl}icos-8-enoic acid
Catalog ID
STK378121
SMILES CCCCCCCCCCC/C=C/CCCCCC(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 C31H47N3O4 MW 525.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47N3O4/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/h12-13,17,19-20,22-23,26H,2-11,14-16,18,21,24-25H2,1H3,(H,37,38)(H,32,33,35)/b13-12+InChIKey
ZTJKYXYHCNKSJH-OUKQBFOZSA-NSynonyms
461661-33-6(8E)2((N(5OXO1PHENYL(2PYRAZOLIN3YL))CARBAMOYL)METHYL)ICOS8ENOICACID
(8E)2(2oxo2((5oxo1phenyl45dihydro1Hpyrazol3yl)amino)ethyl)icos8enoicacid
(E)2(2OXO2((5OXO1PHENYL4HPYRAZOL3YL)AMINO)ETHYL)ICOS8ENOICACID
461661336
CCCCCCCCCCCC=CCCCCCC(C(=O)O)CC(=O)NC1=NN(C(=O)C1)c1ccccc1
CCCCCCCCCCCC=CCCCCCC(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O
InChI=1SC31H47N3O4c12345678910111213141516182126(31(37)38)2429(35)32282530(36)34(3328)27221917202327h1213171920222326H211141618212425H21H3(H3738)(H323335)b1312+
MFCD01823558
ZINC000097950065
ZINC000097950066
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