Vitas-M small molecule compound

4-(2,5-dimethylphenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

Catalog ID
STK752031
SMILES Fc1ccc(cc1)C1CC(=NN1c1scc(n1)c1cc(C)ccc1C)c1cccc(c1)[N+](=O)[O-]

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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 C26H21FN4O2S MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN4O2S/c1-16-6-7-17(2)22(12-16)24-15-34-26(28-24)30-25(18-8-10-20(27)11-9-18)14-23(29-30)19-4-3-5-21(13-19)31(32)33/h3-13,15,25H,14H2,1-2H3
InChIKey
UVTRLHWFIKBDMM-UHFFFAOYSA-N
Synonyms
5568-93-4
4(25DIMETHYLPHENYL)2(3(4FLUOROPHENYL)5(3NITROPHENYL)34DIHYDROPYRAZOL2YL)13THIAZOLE
4(25dimethylphenyl)2(5(4fluorophenyl)3(3nitrophenyl)45dihydro1Hpyrazol1yl)13thiazole
5568934
CC1=CC(=C(C=C1)C)C2=CSC(=N2)N3C(CC(=N3)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=C(C=C5)F
Fc1ccc(cc1)C1CC(=NN1c1scc(n1)c1cc(C)ccc1C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H21FN4O2Sc1166717(2)22(1216)24153426(2824)3025(1881020(27)11918)1423(2930)1943521(1319)31(32)33h3131525H14H212H3
MFCD00748073
ZINC000008442596
ZINC000008442597

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Available files

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