Vitas-M small molecule compound

4-[(5-bromo-2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK031569
SMILES Brc1ccc(c(c1)CNc1c(C)n(n(c1=O)c1ccccc1)C)O

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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 C18H18BrN3O2 MW 388.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O2/c1-12-17(20-11-13-10-14(19)8-9-16(13)23)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-10,20,23H,11H2,1-2H3
InChIKey
SCWXUMKLFWHDSP-UHFFFAOYSA-N
Synonyms
385418-41-7
4((5BROMO2HYDROXYBENZYL)AMINO)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4((5bromo2hydroxybenzyl)amino)15dimethyl2phenyl1Hpyrazol3(2H)one
4((5BROMO2HYDROXYBENZYL)AMINO)15DIMETHYL2PHENYL1HPYRAZOLE3(2H)ONE
4((5BROMO2HYDROXYPHENYL)METHYLAMINO)15DIMETHYL2PHENYLPYRAZOL3ONE
4BROMO2(((15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)AMMONIO)METHYL)PHENOLATE
4BROMO2(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AZANIUMYL)METHYL)PHENOLATE
Brc1ccc(c(c1)CNc1c(C)n(n(c1=O)c1ccccc1)C)O
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=C(C=CC(=C3)Br)O
InChI=1SC18H18BrN3O2c11217(2011131014(19)8916(13)23)18(24)22(21(12)2)156435715h3102023H11H212H3
STK031569
ZINC000001175262
ZINC01175262
ZINC1175262

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.