Vitas-M small molecule compound
1-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
Catalog ID
STK487642
SMILES O=C(Nc1c(C)nn(c1C)Cc1ccccc1C)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/c1-13-7-4-5-8-16(13)12-28-15(3)19(14(2)27-28)26-20(29)25-18-10-6-9-17(11-18)21(22,23)24/h4-11H,12H2,1-3H3,(H2,25,26,29)InChIKey
KKIASZXPNRHODC-UHFFFAOYSA-NSynonyms
((35DIMETHYL1((2METHYLPHENYL)METHYL)PYRAZOL4YL)AMINO)N(3(TRIFLUOROMETHYL)PHENYL)CARBOXAMIDE
1(35dimethyl1((2methylphenyl)methyl)pyrazol4yl)3(3(trifluoromethyl)phenyl)urea
1(35dimethyl1(2methylbenzyl)1Hpyrazol4yl)3(3(trifluoromethyl)phenyl)urea
CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C
InChI=1SC21H21F3N4Oc113745816(13)122815(3)19(14(2)2728)2620(29)2518106917(1118)21(2223)24h411H12H213H3(H2252629)
MFCD06077435
ZINC000013331432
ZINC13331432
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