Vitas-M small molecule compound

3-benzyl-4,8-dimethyl-7-[(3,4,5-trimethoxybenzyl)oxy]-2H-chromen-2-one

Catalog ID
STK829400
SMILES COc1cc(COc2ccc3c(c2C)oc(=O)c(c3C)Cc2ccccc2)cc(c1OC)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 C28H28O6 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O6/c1-17-21-11-12-23(33-16-20-14-24(30-3)27(32-5)25(15-20)31-4)18(2)26(21)34-28(29)22(17)13-19-9-7-6-8-10-19/h6-12,14-15H,13,16H2,1-5H3
InChIKey
WYYAQKFDPFJYSQ-UHFFFAOYSA-N
Synonyms
376385-08-9
376385089
3benzyl48dimethyl7((345trimethoxybenzyl)oxy)2Hchromen2one
3benzyl48dimethyl7((345trimethoxyphenyl)methoxy)chromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC=CC=C4
InChI=1SC28H28O6c11721111223(3316201424(303)27(325)25(1520)314)18(2)26(21)3428(29)22(17)131997681019h6121415H1316H215H3
MFCD02925181
ZINC000000950429
ZINC00950429
ZINC950429

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Available files

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