Vitas-M small molecule compound

2,2'-[(3,4-dimethoxyphenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]

Catalog ID
STL049030
SMILES COc1cc(ccc1OC)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)C1C(=O)CC(CC1=O)c1ccc(cc1)OC

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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 C35H36O8 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36O8/c1-40-25-10-5-20(6-11-25)23-15-27(36)34(28(37)16-23)33(22-9-14-31(42-3)32(19-22)43-4)35-29(38)17-24(18-30(35)39)21-7-12-26(41-2)13-8-21/h5-14,19,23-24,33-35H,15-18H2,1-4H3
InChIKey
IJQGCJMTPVLZFJ-UHFFFAOYSA-N
Synonyms

2((34DIMETHOXYPHENYL)(4(4METHOXYPHENYL)26DIOXOCYCLOHEXYL)METHYL)5(4METHOXYPHENYL)CYCLOHEXANE13DIONE
22((34dimethoxyphenyl)methanediyl)bis(5(4methoxyphenyl)cyclohexane13dione)
22((34dimethoxyphenyl)methylene)bis(5(4methoxyphenyl)cyclohexane13dione)
COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(C3C(=O)CC(CC3=O)C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)OC)OC
InChI=1SC35H36O8c1402510520(61125)231527(36)34(28(37)1623)33(2291431(423)32(1922)434)3529(38)1724(1830(35)39)2171226(412)13821h5141923243335H1518H214H3
MFCD00698896
ZINC000100517029
ZINC100517029

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Available files

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