Vitas-M small molecule compound
5,5-dimethyl-2-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}cyclohexane-1,3-dione
Catalog ID
STK821209
SMILES Cc1cc(C)c(c(c1)C)c1nn(cc1C=C1C(=O)CC(CC1=O)(C)C)c1ccccc1
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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 C27H28N2O2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2/c1-17-11-18(2)25(19(3)12-17)26-20(16-29(28-26)21-9-7-6-8-10-21)13-22-23(30)14-27(4,5)15-24(22)31/h6-13,16H,14-15H2,1-5H3InChIKey
BGGRGNJWEGVYIA-UHFFFAOYSA-NSynonyms
55dimethyl2((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)cyclohexane13dione
55dimethyl2((1phenyl3(246trimethylphenyl)pyrazol4yl)methylidene)cyclohexane13dione
CC1=CC(=C(C(=C1)C)C2=NN(C=C2C=C3C(=O)CC(CC3=O)(C)C)C4=CC=CC=C4)C
InChI=1SC27H28N2O2c1171118(2)25(19(3)1217)2620(1629(2826)2197681021)132223(30)1427(45)1524(22)31h61316H1415H215H3
MFCD03462628
ZINC000026963405
ZINC26963405
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