Vitas-M small molecule compound

2,2'-[(4-ethoxy-3-methoxyphenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

Catalog ID
STK244784
SMILES CCOc1ccc(cc1OC)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 C26H34O6 MW 442.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34O6/c1-7-32-20-9-8-15(10-21(20)31-6)22(23-16(27)11-25(2,3)12-17(23)28)24-18(29)13-26(4,5)14-19(24)30/h8-10,22,27,29H,7,11-14H2,1-6H3
InChIKey
ORMKCMYXXNPOFC-UHFFFAOYSA-N
Synonyms

2((4ETHOXY3METHOXYPHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE
22((4ethoxy3methoxyphenyl)methanediyl)bis(3hydroxy55dimethylcyclohex2en1one)
CCOC1=C(C=C(C=C1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O)OC
InChI=1SC26H34O6c1732209815(1021(20)316)22(2316(27)1125(23)1217(23)28)2418(29)1326(45)1419(24)30h810222729H71114H216H3
MFCD03719710
ZINC000096514194
ZINC96514194

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Available files

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