Vitas-M small molecule compound

7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-4H-chromen-4-one

Catalog ID
STK888610
SMILES CCCc1cc2c(cc1OCc1ccccc1Cl)oc(c(c2=O)c1ccc2c(c1)OCCCO2)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 C29H27ClO5 MW 490.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClO5/c1-3-7-19-14-22-26(16-25(19)34-17-21-8-4-5-9-23(21)30)35-18(2)28(29(22)31)20-10-11-24-27(15-20)33-13-6-12-32-24/h4-5,8-11,14-16H,3,6-7,12-13,17H2,1-2H3
InChIKey
CNFKUHLQHYKETM-UHFFFAOYSA-N
Synonyms

7((2chlorobenzyl)oxy)3(34dihydro2H15benzodioxepin7yl)2methyl6propyl4Hchromen4one
7((2CHLOROPHENYL)METHOXY)3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL6PROPYLCHROMEN4ONE
CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=CC=C5Cl
InChI=1SC29H27ClO5c13719142226(1625(19)341721845923(21)30)3518(2)28(29(22)31)2010112427(1520)33136123224h458111416H367121317H212H3
MFCD04145307
ZINC000002157459
ZINC02157459
ZINC2157459

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Available files

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