Vitas-M small molecule compound

1,5-dimethyl-2-phenyl-4-[(1-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}cyclohexyl)amino]-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK033977
SMILES Cc1c(NC2(CCCCC2)c2nnnn2c2cccc(c2)C(F)(F)F)c(=O)n(n1C)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 C25H26F3N7O MW 497.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26F3N7O/c1-17-21(22(36)35(33(17)2)19-11-5-3-6-12-19)29-24(14-7-4-8-15-24)23-30-31-32-34(23)20-13-9-10-18(16-20)25(26,27)28/h3,5-6,9-13,16,29H,4,7-8,14-15H2,1-2H3
InChIKey
ADXRJDRPWBVZIY-UHFFFAOYSA-N
Synonyms

15DIMETHYL2PHENYL4((1(1(3(TRIFLUOROMETHYL)PHENYL)1HTETRAAZOL5YL)CYCLOHEXYL)AMINO)12DIHYDRO3HPYRAZOL3ONE
15DIMETHYL2PHENYL4((1(1(3(TRIFLUOROMETHYL)PHENYL)1HTETRAZOL5YL)CYCLOHEXYL)AMINO)12DIHYDRO3HPYRAZOL3ONE
15DIMETHYL2PHENYL4((1(1(3(TRIFLUOROMETHYL)PHENYL)TETRAZOL5YL)CYCLOHEXYL)AMINO)PYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3(CCCCC3)C4=NN=NN4C5=CC=CC(=C5)C(F)(F)F
Cc1c(NC2(CCCCC2)c2nnnn2c2cccc(c2)C(F)(F)F)c(=O)n(n1C)c1ccccc1
InChI=1SC25H26F3N7Oc11721(22(36)35(33(17)2)19115361219)2924(147481524)2330313234(23)201391018(1620)25(2627)28h3569131629H4781415H212H3
MFCD02070747
STK033977
ZINC000009144700
ZINC09144700
ZINC9144700

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Available files

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