Vitas-M small molecule compound
(4E)-4-(3,5-di-tert-butyl-2-methoxybenzylidene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK743544
SMILES COc1c(/C=C/2\C(=NN(C2=O)c2ccccc2)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)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 C31H34N2O2 MW 466.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O2/c1-30(2,3)23-18-22(28(35-7)26(20-23)31(4,5)6)19-25-27(21-14-10-8-11-15-21)32-33(29(25)34)24-16-12-9-13-17-24/h8-20H,1-7H3/b25-19+InChIKey
AEDDFYRBXDVHEG-NCELDCMTSA-NSynonyms
(4E)4((35DITERTBUTYL2METHOXYPHENYL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
(4E)4(35ditertbutyl2methoxybenzylidene)25diphenyl24dihydro3Hpyrazol3one
CC(C)(C)C1=CC(=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC)C(C)(C)C
COc1c(C=C2C(=NN(C2=O)c2ccccc2)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C
InChI=1SC31H34N2O2c130(23)231822(28(357)26(2023)31(45)6)192527(2114108111521)3233(29(25)34)2416129131724h820H17H3b2519+
MFCD06014283
ZINC000032143284
ZINC32143284
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