Vitas-M small molecule compound
1-{(E)-[1-(4-bromo-2-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-3-(4-fluorophenyl)urea
Catalog ID
STL295767
SMILES O=C(Nc1ccc(cc1)F)N/C=C/1\C(=NN(C1=O)c1ccc(cc1C)Br)C
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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 C19H16BrFN4O2 MW 431.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrFN4O2/c1-11-9-13(20)3-8-17(11)25-18(26)16(12(2)24-25)10-22-19(27)23-15-6-4-14(21)5-7-15/h3-10H,1-2H3,(H2,22,23,27)/b16-10+InChIKey
LZRZKTCFMSVOKI-MHWRWJLKSA-NSynonyms
1((E)(1(4bromo2methylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)3(4fluorophenyl)urea
1((E)(1(4bromo2methylphenyl)3methyl5oxopyrazol4ylidene)methyl)3(4fluorophenyl)urea
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC(=O)NC3=CC=C(C=C3)F)C(=N2)C
InChI=1SC19H16BrFN4O2c111913(20)3817(11)2518(26)16(12(2)2425)102219(27)23156414(21)5715h310H12H3(H2222327)b1610+
MFCD28033130
O=C(Nc1ccc(cc1)F)NC=C1C(=NN(C1=O)c1ccc(cc1C)Br)C
ZINC000095471087
ZINC95471087
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