Vitas-M small molecule compound
5-[3'-(4-methylphenyl)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'H,2H-3,4'-bipyrazol-2-yl]-5-oxopentanoic acid
Catalog ID
STK533818
SMILES OC(=O)CCCC(=O)N1N=C(CC1c1cn(nc1c1ccc(cc1)C)c1ccccc1)c1cccs1
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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 C28H26N4O3S MW 498.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S/c1-19-12-14-20(15-13-19)28-22(18-31(30-28)21-7-3-2-4-8-21)24-17-23(25-9-6-16-36-25)29-32(24)26(33)10-5-11-27(34)35/h2-4,6-9,12-16,18,24H,5,10-11,17H2,1H3,(H,34,35)InChIKey
TYTPLVSEPJBTMP-UHFFFAOYSA-NSynonyms
5(3(3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)5THIOPHEN2YL34DIHYDROPYRAZOL2YL)5OXOPENTANOICACID
5(3(4METHYLPHENYL)1PHENYL5(2THIENYL)34DIHYDRO1H2H34BIPYRAZOL2YL)5OXOPENTANOICACID
5(3(4methylphenyl)1phenyl5(thiophen2yl)34dihydro1H2H34bipyrazol2yl)5oxopentanoicacid
5oxo5(1phenyl5(thiophen2yl)3(ptolyl)34dihydro1H2H(34bipyrazol)2yl)pentanoicacid
CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CS4)C5=CC=CC=C5
InChI=1SC28H26N4O3Sc119121420(151319)2822(1831(3028)217324821)241723(2596163625)2932(24)26(33)1051127(34)35h246912161824H5101117H21H3(H3435)
MFCD02719086
ZINC000004645962
ZINC000010013866
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