Vitas-M small molecule compound

3,3'-[2-(4-methoxyphenyl)propane-1,3-diyl]bis(4-hydroxy-6-methyl-2H-pyran-2-one)

Catalog ID
STK987634
SMILES COc1ccc(cc1)C(Cc1c(O)cc(oc1=O)C)Cc1c(O)cc(oc1=O)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 C22H22O7 MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O7/c1-12-8-19(23)17(21(25)28-12)10-15(14-4-6-16(27-3)7-5-14)11-18-20(24)9-13(2)29-22(18)26/h4-9,15,23-24H,10-11H2,1-3H3
InChIKey
GBXPDGYBOUQOHN-UHFFFAOYSA-N
Synonyms

33(2(4methoxyphenyl)propane13diyl)bis(4hydroxy6methyl2Hpyran2one)
4HYDROXY3(3(4HYDROXY6METHYL2OXOPYRAN3YL)2(4METHOXYPHENYL)PROPYL)6METHYLPYRAN2ONE
CC1=CC(=C(C(=O)O1)CC(CC2=C(C=C(OC2=O)C)O)C3=CC=C(C=C3)OC)O
InChI=1SC22H22O7c112819(23)17(21(25)2812)1015(144616(273)7514)111820(24)913(2)2922(18)26h49152324H1011H213H3
MFCD06650331
ZINC000016756397
ZINC16756397

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Available files

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