Vitas-M small molecule compound
(2E)-3-{3-[(2-cyclohexylphenoxy)methyl]-4-methoxyphenyl}-1-(4-hydroxyphenyl)prop-2-en-1-one
Catalog ID
STK327471
SMILES COc1ccc(cc1COc1ccccc1C1CCCCC1)/C=C/C(=O)c1ccc(cc1)O
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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 C29H30O4 MW 442.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30O4/c1-32-28-18-12-21(11-17-27(31)23-13-15-25(30)16-14-23)19-24(28)20-33-29-10-6-5-9-26(29)22-7-3-2-4-8-22/h5-6,9-19,22,30H,2-4,7-8,20H2,1H3/b17-11+InChIKey
YLLNITIABQGAHU-GZTJUZNOSA-NSynonyms
404916-10-5(2E)3(3((2CYCLOHEXYLPHENOXY)METHYL)4METHOXYPHENYL)1(4HYDROXYPHENYL)PROP2EN1ONE
(E)3(3((2CYCLOHEXYLPHENOXY)METHYL)4METHOXYPHENYL)1(4HYDROXYPHENYL)PROP2EN1ONE
404916105
COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O)COC3=CC=CC=C3C4CCCCC4
COc1ccc(cc1COc1ccccc1C1CCCCC1)C=CC(=O)c1ccc(cc1)O
InChI=1SC29H30O4c13228181221(111727(31)23131525(30)161423)1924(28)2033291065926(29)227324822h569192230H247820H21H3b1711+
MFCD03688557
ZINC000008399104
ZINC08399104
ZINC8399104
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