Vitas-M small molecule compound
(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Catalog ID
STK025421
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)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 C28H28N2O2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2/c1-31-24-15-11-20(12-16-24)19-22-7-6-10-26-27(22)29-30(23-8-4-3-5-9-23)28(26)21-13-17-25(32-2)18-14-21/h3-5,8-9,11-19,26,28H,6-7,10H2,1-2H3/b22-19+InChIKey
KMAMZQZZIXEMST-ZBJSNUHESA-NSynonyms
(7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)2PHENYL3A456TETRAHYDRO3HINDAZOLE
(7E)7(4methoxybenzylidene)3(4methoxyphenyl)2phenyl33a4567hexahydro2Hindazole
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C5=CC=CC=C5
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)c1ccccc1
InChI=1SC28H28N2O2c13124151120(121624)192276102627(22)2930(238435923)28(26)21131725(322)181421h358911192628H6710H212H3b2219+
MFCD00564684
STK025421
ZINC000004178529
ZINC000004178536
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