Vitas-M small molecule compound
2,2'-({4-[(4-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STL503758
SMILES Fc1ccc(cc1)COc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C
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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 C30H33FO5 MW 492.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33FO5/c1-29(2)13-22(32)27(23(33)14-29)26(28-24(34)15-30(3,4)16-25(28)35)19-7-11-21(12-8-19)36-17-18-5-9-20(31)10-6-18/h5-12,26,32,34H,13-17H2,1-4H3InChIKey
XYUMVHITFZHWFK-UHFFFAOYSA-NSynonyms
2((4((4fluorophenyl)methoxy)phenyl)(2hydroxy44dimethyl6oxocyclohexen1yl)methyl)3hydroxy55dimethylcyclohex2en1one
22((4((4fluorobenzyl)oxy)phenyl)methanediyl)bis(3hydroxy55dimethylcyclohex2en1one)
51457895
InChI=1SC30H33FO5c129(2)1322(32)27(23(33)1429)26(2824(34)1530(34)1625(28)35)1971121(12819)3617185920(31)10618h512263234H1317H214H3
MFCD31537915
ZINC000009310432
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