Vitas-M small molecule compound
(2E)-3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Catalog ID
STK723185
SMILES COc1ccc(cc1COc1ccc(cc1)Cl)/C=C/C(=O)c1ccc2c(c1O)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 C27H21ClO4 MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClO4/c1-31-26-15-7-18(16-20(26)17-32-22-11-9-21(28)10-12-22)6-14-25(29)24-13-8-19-4-2-3-5-23(19)27(24)30/h2-16,30H,17H2,1H3/b14-6+InChIKey
MCYBNSXGBIWKQK-MKMNVTDBSA-NSynonyms
(2E)3(3((4chlorophenoxy)methyl)4methoxyphenyl)1(1hydroxynaphthalen2yl)prop2en1one
(E)3(3((4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)1(1HYDROXYNAPHTHALEN2YL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)C2=C(C3=CC=CC=C3C=C2)O)COC4=CC=C(C=C4)Cl
COc1ccc(cc1COc1ccc(cc1)Cl)C=CC(=O)c1ccc2c(c1O)cccc2
InChI=1SC27H21ClO4c1312615718(1620(26)17322211921(28)101222)61425(29)2413819423523(19)27(24)30h21630H17H21H3b146+
MFCD02983574
ZINC000009065237
ZINC09065237
ZINC9065237
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