Vitas-M small molecule compound

methyl 3-benzyl-5,5-dimethyl-2,4-dioxo-6-phenyltetrahydro-2H-pyran-3-carboxylate

Catalog ID
STK678489
SMILES COC(=O)C1(Cc2ccccc2)C(=O)OC(C(C1=O)(C)C)c1ccccc1

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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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-21(2)17(16-12-8-5-9-13-16)27-20(25)22(18(21)23,19(24)26-3)14-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3
InChIKey
DTLKBEQRYDAEDI-UHFFFAOYSA-N
Synonyms

3BENZYL55DIMETHYL24DIOXO6PHENYLTETRAHYDROPYRAN3CARBOXYLICACIDMETHYLESTER
CC1(C(OC(=O)C(C1=O)(CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3)C
InChI=1SC22H22O5c121(2)17(16128591316)2720(25)22(18(21)2319(24)263)1415106471115h41317H14H213H3
METHYL(3S6R)3BENZYL55DIMETHYL24DIOXO6PHENYLTETRAHYDRO2HPYRAN3CARBOXYLATE
METHYL(3S6S)3BENZYL55DIMETHYL24DIOXO6PHENYLTETRAHYDRO2HPYRAN3CARBOXYLATE
METHYL3BENZYL55DIMETHYL24DIOXO6PHENYLOXANE3CARBOXYLATE
methyl3benzyl55dimethyl24dioxo6phenyltetrahydro2Hpyran3carboxylate
METHYL55DIMETHYL24DIOXO6PHENYL3BENZYL3H56DIHYDROPYRAN3CARBOXYLATE
MFCD02999117
ZINC000001089603
ZINC000001089606

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Available files

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