Vitas-M small molecule compound

3,5-bis(3,4-dimethylphenyl)-1-(3-fluorobenzyl)-4-methyl-1H-pyrazole

Catalog ID
STL401175
SMILES Fc1cccc(c1)Cn1nc(c(c1c1ccc(c(c1)C)C)C)c1ccc(c(c1)C)C

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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 C27H27FN2 MW 398.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN2/c1-17-9-11-23(13-19(17)3)26-21(5)27(24-12-10-18(2)20(4)14-24)30(29-26)16-22-7-6-8-25(28)15-22/h6-15H,16H2,1-5H3
InChIKey
VATLGZQRKBMFQY-UHFFFAOYSA-N
Synonyms
1006361-17-6
1006361176
35bis(34dimethylphenyl)1((3fluorophenyl)methyl)4methylpyrazole
35bis(34dimethylphenyl)1(3fluorobenzyl)4methyl1Hpyrazole
CC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC(=CC=C3)F)C4=CC(=C(C=C4)C)C)C)C
InChI=1SC27H27FN2c11791123(1319(17)3)2621(5)27(24121018(2)20(4)1424)30(2926)162276825(28)1522h615H16H215H3
MFCD08551737
ZINC000002733247
ZINC02733247
ZINC2733247

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Available files

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