Vitas-M small molecule compound

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

Catalog ID
STK098615
SMILES COc1cccc(c1O)CNc1c(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 C19H21N3O3 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3/c1-13-17(20-12-14-8-7-11-16(25-3)18(14)23)19(24)22(21(13)2)15-9-5-4-6-10-15/h4-11,20,23H,12H2,1-3H3
InChIKey
LJEQWQTYWXRSMY-UHFFFAOYSA-N
Synonyms
385418-76-8
2(((15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)AMMONIO)METHYL)6METHOXYPHENOLATE
2(((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AZANIUMYL)METHYL)6METHOXYPHENOLATE
4(((2HYDROXY3METHOXYPHENYL)METHYL)AMINO)23DIMETHYL1PHENYL3PYRAZOLIN5ONE
4((2HYDROXY3METHOXYBENZYL)AMINO)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4((2hydroxy3methoxybenzyl)amino)15dimethyl2phenyl1Hpyrazol3(2H)one
4((2HYDROXY3METHOXYPHENYL)METHYLAMINO)15DIMETHYL2PHENYLPYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)(NH2+)CC3=C(C(=CC=C3)OC)(O)
COc1cccc(c1O)CNc1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC19H21N3O3c11317(201214871116(253)18(14)23)19(24)22(21(13)2)1595461015h4112023H12H213H3
STK098615
ZINC04121772
ZINC4121772

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Available files

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