Vitas-M small molecule compound

(2E)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one

Catalog ID
STK084005
SMILES COc1ccc(cc1COc1ccc(cc1)F)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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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 C27H29FO3 MW 420.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FO3/c1-30-25-8-2-18(13-22(25)17-31-24-6-4-23(28)5-7-24)3-9-26(29)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-3+
InChIKey
NPMSZIYXZZTPCV-YCRREMRBSA-N
Synonyms
376619-93-1
(2E)3(3((4fluorophenoxy)methyl)4methoxyphenyl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1((3r5r7r)adamantan1yl)3(3((4fluorophenoxy)methyl)4methoxyphenyl)prop2en1one
(E)1(1ADAMANTYL)3(3((4FLUOROPHENOXY)METHYL)4METHOXYPHENYL)PROP2EN1ONE
376619931
COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)COC5=CC=C(C=C5)F
COc1ccc(cc1COc1ccc(cc1)F)C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC27H29FO3c130258218(1322(25)1731246423(28)5724)3926(29)2714191020(1527)1221(1119)1627h29131921H10121417H21H3b93+
MFCD02608217
STK084005
ZINC000004672417
ZINC04672417
ZINC4672417

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.