Vitas-M small molecule compound

diethyl 2-[4-(benzyloxy)-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL444534
SMILES CCOC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OC)OCc1ccccc1)C(=O)OCC)(C)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 C27H32O8 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32O8/c1-5-33-25(29)23-19(28)15-27(3,31)24(26(30)34-6-2)22(23)18-12-13-20(21(14-18)32-4)35-16-17-10-8-7-9-11-17/h7-14,22-24,31H,5-6,15-16H2,1-4H3
InChIKey
RHSGJAYFDZEYOW-UHFFFAOYSA-N
Synonyms
1005138-48-6
1005138486
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
DIETHYL2(4(BENZYLOXY)3METHOXYPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(4(benzyloxy)3methoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIETHYL4HYDROXY2(3METHOXY4PHENYLMETHOXYPHENYL)4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC27H32O8c153325(29)2319(28)1527(331)24(26(30)3462)22(23)18121320(21(1418)324)351617108791117h714222431H561516H214H3
MFCD03020324
ZINC000008400630
ZINC000016212716

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Available files

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