Vitas-M small molecule compound

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

Catalog ID
STK046165
SMILES COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)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 C33H32O7 MW 540.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32O7/c1-39-25-11-5-19(6-12-25)22-15-27(35)32(28(36)16-22)31(21-3-9-24(34)10-4-21)33-29(37)17-23(18-30(33)38)20-7-13-26(40-2)14-8-20/h3-14,22-23,31-34H,15-18H2,1-2H3
InChIKey
HOGUCNPGZXMBGW-UHFFFAOYSA-N
Synonyms

2((26DIKETO4(4METHOXYPHENYL)CYCLOHEXYL)(4HYDROXYPHENYL)METHYL)5(4METHOXYPHENYL)CYCLOHEXANE13QUINONE
2((4HYDROXYPHENYL)(4(4METHOXYPHENYL)26BIS(OXIDANYLIDENE)CYCLOHEXYL)METHYL)5(4METHOXYPHENYL)CYCLOHEXANE13DIONE
2((4HYDROXYPHENYL)(4(4METHOXYPHENYL)26DIOXOCYCLOHEXYL)METHYL)5(4METHOXYPHENYL)CYCLOHEXANE13DIONE
22((4HYDROXYPHENYL)METHANEDIYL)BIS(5(4METHOXYPHENYL)CYCLOHEXANE13DIONE)
22((4hydroxyphenyl)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)O
COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(cc1)O
InChI=1SC33H32O7c1392511519(61225)221527(35)32(28(36)1622)31(213924(34)10421)3329(37)1723(1830(33)38)2071326(402)14820h31422233134H1518H212H3
MFCD00305519
STK046165
ZINC000017527788
ZINC17527788

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Available files

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