Vitas-M small molecule compound
4,4'-{[2-(trifluoromethyl)phenyl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STL170447
SMILES Cc1c(C(c2c(C)n(n(c2=O)c2ccccc2)C)c2ccccc2C(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 C30H27F3N4O2 MW 532.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27F3N4O2/c1-19-25(28(38)36(34(19)3)21-13-7-5-8-14-21)27(23-17-11-12-18-24(23)30(31,32)33)26-20(2)35(4)37(29(26)39)22-15-9-6-10-16-22/h5-18,27H,1-4H3InChIKey
FZBYXOMJORAZGW-UHFFFAOYSA-NSynonyms
4((15dimethyl3oxo2phenylpyrazol4yl)(2(trifluoromethyl)phenyl)methyl)15dimethyl2phenylpyrazol3one
44((2(trifluoromethyl)phenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3C(F)(F)F)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC30H27F3N4O2c11925(28(38)36(34(19)3)21137581421)27(231711121824(23)30(3132)33)2620(2)35(4)37(29(26)39)221596101622h51827H14H3
MFCD01018564
ZINC000098045800
ZINC98045800
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