Vitas-M small molecule compound
(3'E)-3'-(4-fluorobenzylidene)-2-(4-fluorophenyl)-8a-hydroxyhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Catalog ID
STL525219
SMILES Fc1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)F)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 C26H26F2O3 MW 424.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F2O3/c27-21-8-4-17(5-9-21)15-19-12-14-25(23(19)29)16-20-3-1-2-13-26(20,30)31-24(25)18-6-10-22(28)11-7-18/h4-11,15,20,24,30H,1-3,12-14,16H2/b19-15+InChIKey
XZPGAROSGKQXQY-XDJHFCHBSA-NSynonyms
1008202-46-7(3E)3(4fluorobenzylidene)2(4fluorophenyl)8ahydroxyhexahydro2H4Hspiro(chromene31cyclopentan)2one
(5~(E))2(4fluorophenyl)5((4fluorophenyl)methylidene)8~(a)hydroxyspiro(44~(a)5678hexahydro2~(H)chromene32cyclopentane)1one
(E)3(4fluorobenzylidene)2(4fluorophenyl)8ahydroxyoctahydrospiro(chromene31cyclopentan)2one
1008202467
6375893
Fc1ccc(cc1)C=C1CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)F)O
InChI=1SC26H26F2O3c27218417(5921)1519121425(23(19)29)16203121326(2030)3124(25)1861022(28)11718h41115202430H13121416H2b1915+
MFCD01543588
ZINC000002090643
ZINC000252695301
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