Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]urea
Catalog ID
STK487576
SMILES O=C(Nc1c(C)nn(c1C)Cc1ccc(cc1)C)Nc1ccc(c(c1)Cl)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 C20H20ClFN4O MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN4O/c1-12-4-6-15(7-5-12)11-26-14(3)19(13(2)25-26)24-20(27)23-16-8-9-18(22)17(21)10-16/h4-10H,11H2,1-3H3,(H2,23,24,27)InChIKey
SPXQWEDJQOFMBF-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)3(35dimethyl1((4methylphenyl)methyl)pyrazol4yl)urea
1(3chloro4fluorophenyl)3(35dimethyl1(4methylbenzyl)1Hpyrazol4yl)urea
CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)NC3=CC(=C(C=C3)F)Cl)C
InChI=1SC20H20ClFN4Oc1124615(7512)112614(3)19(13(2)2526)2420(27)23168918(22)17(21)1016h410H11H213H3(H2232427)
MFCD06047268
N(35DIMETHYL1((4METHYLPHENYL)METHYL)PYRAZOL4YL)((3CHLORO4FLUOROPHENYL)AMINO)CARBOXAMIDE
ZINC000013331382
ZINC13331382
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