Vitas-M small molecule compound
(2E)-N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-2,3-diphenylprop-2-enamide
Catalog ID
STK301927
SMILES Cc1nn(c(c1NC(=O)/C(=C/c1ccccc1)/c1ccccc1)C)Cc1c(F)c(F)c(c(c1F)F)F
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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 C27H20F5N3O MW 497.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F5N3O/c1-15-26(16(2)35(34-15)14-20-21(28)23(30)25(32)24(31)22(20)29)33-27(36)19(18-11-7-4-8-12-18)13-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H,33,36)/b19-13+InChIKey
WRPDSPKQIMXBTB-CPNJWEJPSA-NSynonyms
512811-68-6(2E)N(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)23diphenylprop2enamide
(E)N(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)23diphenylprop2enamide
512811686
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4
Cc1nn(c(c1NC(=O)C(=Cc1ccccc1)c1ccccc1)C)Cc1c(F)c(F)c(c(c1F)F)F
InChI=1SC27H20F5N3Oc11526(16(2)35(3415)142021(28)23(30)25(32)24(31)22(20)29)3327(36)19(18117481218)131795361017h313H14H212H3(H3336)b1913+
MFCD03466252
ZINC000002749389
ZINC02749389
ZINC2749389
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