Vitas-M small molecule compound

4,4'-[(3,4-dihydroxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)

Catalog ID
STK508926
SMILES Oc1ccc(cc1O)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c1-18-25(28(36)32(30(18)3)21-11-7-5-8-12-21)27(20-15-16-23(34)24(35)17-20)26-19(2)31(4)33(29(26)37)22-13-9-6-10-14-22/h5-17,27,34-35H,1-4H3
InChIKey
SXXAOSNBGRKTRW-UHFFFAOYSA-N
Synonyms

4((34DIHYDROXYPHENYL)(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)METHYL)15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE
4((34DIHYDROXYPHENYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)15DIMETHYL2PHENYLPYRAZOL3ONE
4((34DIHYDROXYPHENYL)(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))METHYL)23DIMETHYL1PHENYL3PYRAZOLIN5ONE
44((34dihydroxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C=C3)O)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC29H28N4O4c11825(28(36)32(30(18)3)21117581221)27(20151623(34)24(35)1720)2619(2)31(4)33(29(26)37)221396101422h517273435H14H3
MFCD00813418
ZINC000013600714
ZINC13600714

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Available files

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