Vitas-M small molecule compound
4,4'-[(5-bromo-2-hydroxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK508904
SMILES Brc1ccc(c(c1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(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 C29H27BrN4O3 MW 559.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN4O3/c1-18-25(28(36)33(31(18)3)21-11-7-5-8-12-21)27(23-17-20(30)15-16-24(23)35)26-19(2)32(4)34(29(26)37)22-13-9-6-10-14-22/h5-17,27,35H,1-4H3InChIKey
BEJGFJPMIBKWIG-UHFFFAOYSA-NSynonyms
4((5BROMO2HYDROXYPHENYL)(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)METHYL)15DIMETHYL2PHENYLPYRAZOL3ONE
44((5bromo2hydroxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C=CC(=C3)Br)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC29H27BrN4O3c11825(28(36)33(31(18)3)21117581221)27(231720(30)151624(23)35)2619(2)32(4)34(29(26)37)221396101422h5172735H14H3
MFCD00808066
ZINC000004020821
ZINC4020821
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