Vitas-M small molecule compound
(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Catalog ID
STK889079
SMILES COc1ccccc1/C=C/1\CCCC2C1=NN(C2c1ccccc1OC)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/c1-31-25-17-8-6-11-20(25)19-21-12-10-16-24-27(21)29-30(22-13-4-3-5-14-22)28(24)23-15-7-9-18-26(23)32-2/h3-9,11,13-15,17-19,24,28H,10,12,16H2,1-2H3/b21-19+InChIKey
XBAGCNXOKBXQSH-XUTLUUPISA-NSynonyms
300566-77-2(7E)3(2METHOXYPHENYL)7((2METHOXYPHENYL)METHYLIDENE)2PHENYL3A456TETRAHYDRO3HINDAZOLE
(7E)7(2methoxybenzylidene)3(2methoxyphenyl)2phenyl33a4567hexahydro2Hindazole
(E)7(2methoxybenzylidene)3(2methoxyphenyl)2phenyl33a4567hexahydro2Hindazole
300566772
COC1=CC=CC=C1C=C2CCCC3C2=NN(C3C4=CC=CC=C4OC)C5=CC=CC=C5
COc1ccccc1C=C1CCCC2C1=NN(C2c1ccccc1OC)c1ccccc1
InChI=1SC28H28N2O2c1312517861120(25)19211210162427(21)2930(22134351422)28(24)2315791826(23)322h3911131517192428H101216H212H3b2119+
MFCD00564685
ZINC000004257767
ZINC000004257770
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