Vitas-M small molecule compound
(3'E,8aR)-8a-hydroxy-3'-(4-methoxybenzylidene)-2-(4-methoxyphenyl)hexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Catalog ID
STL524849
SMILES COc1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCC[C@]1(OC2c1ccc(cc1)OC)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 C28H32O5 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32O5/c1-31-23-10-6-19(7-11-23)17-21-14-16-27(25(21)29)18-22-5-3-4-15-28(22,30)33-26(27)20-8-12-24(32-2)13-9-20/h6-13,17,22,26,30H,3-5,14-16,18H2,1-2H3/b21-17+/t22?,26?,27?,28-/m1/s1InChIKey
LHZZMHLXKOFUGQ-FWCXZSEWSA-NSynonyms
(3E8aR)8ahydroxy3(4methoxybenzylidene)2(4methoxyphenyl)hexahydro2H4Hspiro(chromene31cyclopentan)2one
(5~(E)8~(a)~(R))8~(a)hydroxy2(4methoxyphenyl)5((4methoxyphenyl)methylidene)spiro(44~(a)5678hexahydro2~(H)chromene32cyclopentane)1one
(8aRE)8ahydroxy3(4methoxybenzylidene)2(4methoxyphenyl)octahydrospiro(chromene31cyclopentan)2one
16396392
COc1ccc(cc1)C=C1CCC2(C1=O)CC1CCCC(C@)1(OC2c1ccc(cc1)OC)O
InChI=1SC28H32O5c1312310619(71123)1721141627(25(21)29)18225341528(2230)3326(27)2081224(322)13920h61317222630H35141618H212H3b2117+t22?26?27?28m1s1
MFCD01845294
ZINC000008761958
ZINC000252694479
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