Vitas-M small molecule compound

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

Catalog ID
STK053402
SMILES Oc1ccccc1CNc1c(C)n(n(c1=O)c1ccccc1)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 C18H19N3O2 MW 309.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-11,19,22H,12H2,1-2H3
InChIKey
QOKFJGWHGCIFSL-UHFFFAOYSA-N
Synonyms
385387-37-1
2(((15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)AMMONIO)METHYL)PHENOLATE
2(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AZANIUMYL)METHYL)PHENOLATE
4((2HYDROXYBENZYL)AMINO)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4((2hydroxybenzyl)amino)15dimethyl2phenyl1Hpyrazol3(2H)one
4((2HYDROXYBENZYL)AMINO)15DIMETHYL2PHENYL1HPYRAZOLE3(2H)ONE
4((2HYDROXYPHENYL)METHYLAMINO)15DIMETHYL2PHENYLPYRAZOL3ONE
4(2HYDROXYBENZYLAMINO)15DIMETHYL2PHENYL12DIHYDROPYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)(NH2+)CC3=CC=CC=C3(O)
InChI=1SC18H19N3O2c11317(1912148671116(14)22)18(23)21(20(13)2)1594351015h3111922H12H212H3
Oc1ccccc1CNc1c(C)n(n(c1=O)c1ccccc1)C
STK053402
ZINC000004897710
ZINC04897710
ZINC4897710

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Available files

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