Vitas-M small molecule compound
(2Z)-2-{3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK454712
SMILES N#C/C(=C/c1ccc(c(c1)COc1ccc2c(c1)CCC2)OC)/C(=O)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 C25H27NO3 MW 389.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO3/c1-25(2,3)24(27)20(15-26)12-17-8-11-23(28-4)21(13-17)16-29-22-10-9-18-6-5-7-19(18)14-22/h8-14H,5-7,16H2,1-4H3/b20-12-InChIKey
XTHLQELKHZYTCY-NDENLUEZSA-NSynonyms
(2Z)2((3(23dihydro1Hinden5yloxymethyl)4methoxyphenyl)methylidene)44dimethyl3oxopentanenitrile
(2Z)2(22DIMETHYLPROPANOYL)3(3(INDAN5YLOXYMETHYL)4METHOXYPHENYL)PROP2ENENITRILE
(2Z)2(3((23dihydro1Hinden5yloxy)methyl)4methoxybenzylidene)44dimethyl3oxopentanenitrile
CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OC)COC2=CC3=C(CCC3)C=C2)C#N
InChI=1SC25H27NO3c125(23)24(27)20(1526)121781123(284)21(1317)1629221091865719(18)1422h814H5716H214H3b2012
MFCD04228250
N#CC(=Cc1ccc(c(c1)COc1ccc2c(c1)CCC2)OC)C(=O)C(C)(C)C
ZINC000017079514
ZINC17079514
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