Vitas-M small molecule compound
(2E)-2-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one
Catalog ID
STK831700
SMILES COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)/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 C29H29ClO3 MW 461.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClO3/c1-18(2)25-16-26(30)19(3)13-28(25)33-17-23-15-20(9-12-27(23)32-4)14-22-11-10-21-7-5-6-8-24(21)29(22)31/h5-9,12-16,18H,10-11,17H2,1-4H3/b22-14+InChIKey
XEYVFVNRTSSOKH-HYARGMPZSA-NSynonyms
(2E)2((3((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)4METHOXYPHENYL)METHYLIDENE)34DIHYDRONAPHTHALEN1ONE
(2E)2(3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
(E)2(3((4chloro2isopropyl5methylphenoxy)methyl)4methoxybenzylidene)34dihydronaphthalen1(2H)one
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C=C3CCC4=CC=CC=C4C3=O)OC
COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)C=C1CCc2c(C1=O)cccc2
InChI=1SC29H29ClO3c118(2)251626(30)19(3)1328(25)3317231520(91227(23)324)1422111021756824(21)29(22)31h59121618H101117H214H3b2214+
MFCD02984697
ZINC000013785379
ZINC13785379
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