Vitas-M small molecule compound
1-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
Catalog ID
STK487589
SMILES O=C(Nc1c(C)nn(c1C)Cc1ccc(cc1)C)Nc1cccc(c1)C(F)(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 C21H21F3N4O MW 402.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F3N4O/c1-13-7-9-16(10-8-13)12-28-15(3)19(14(2)27-28)26-20(29)25-18-6-4-5-17(11-18)21(22,23)24/h4-11H,12H2,1-3H3,(H2,25,26,29)InChIKey
ANSRSERXTHWHQP-UHFFFAOYSA-NSynonyms
((35DIMETHYL1((4METHYLPHENYL)METHYL)PYRAZOL4YL)AMINO)N(3(TRIFLUOROMETHYL)PHENYL)CARBOXAMIDE
1(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)3(3(trifluoromethyl)phenyl)urea
1(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)3(3(trifluoromethyl)phenyl)urea
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C
InChI=1SC21H21F3N4Oc1137916(10813)122815(3)19(14(2)2728)2620(29)251864517(1118)21(2223)24h411H12H213H3(H2252629)
MFCD06077437
ZINC000013331395
ZINC13331395
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