Vitas-M small molecule compound
(2E)-2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxybenzylidene}-3,4-dihydronaphthalen-1(2H)-one
Catalog ID
STL000153
SMILES COc1ccc(cc1COc1cccc(c1C)C)/C=C/1\CCc2c(C1=O)cccc2
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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 C27H26O3 MW 398.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26O3/c1-18-7-6-10-25(19(18)2)30-17-23-16-20(11-14-26(23)29-3)15-22-13-12-21-8-4-5-9-24(21)27(22)28/h4-11,14-16H,12-13,17H2,1-3H3/b22-15+InChIKey
CMIXPQABZKOAKB-PXLXIMEGSA-NSynonyms
404917-81-3(2E)2((3((23DIMETHYLPHENOXY)METHYL)4METHOXYPHENYL)METHYLIDENE)34DIHYDRONAPHTHALEN1ONE
(2E)2(3((23dimethylphenoxy)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
(E)2(3((23dimethylphenoxy)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
404917813
CC1=C(C(=CC=C1)OCC2=C(C=CC(=C2)C=C3CCC4=CC=CC=C4C3=O)OC)C
COc1ccc(cc1COc1cccc(c1C)C)C=C1CCc2c(C1=O)cccc2
InChI=1SC27H26O3c118761025(19(18)2)3017231620(111426(23)293)1522131221845924(21)27(22)28h4111416H121317H213H3b2215+
MFCD03680948
ZINC000002233173
ZINC02233173
ZINC2233173
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