Vitas-M small molecule compound
7-[(3-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one
Catalog ID
STK888612
SMILES CCc1cc2c(cc1OCc1cccc(c1)Cl)occ(c2=O)c1ccc2c(c1)OCCCO2
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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 C27H23ClO5 MW 462.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClO5/c1-2-18-12-21-25(14-24(18)32-15-17-5-3-6-20(28)11-17)33-16-22(27(21)29)19-7-8-23-26(13-19)31-10-4-9-30-23/h3,5-8,11-14,16H,2,4,9-10,15H2,1H3InChIKey
FJKKWMIBXKAGTB-UHFFFAOYSA-NSynonyms
7((3chlorobenzyl)oxy)3(34dihydro2H15benzodioxepin7yl)6ethyl4Hchromen4one
7((3CHLOROPHENYL)METHOXY)3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYLCHROMEN4ONE
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC(=CC=C5)Cl
InChI=1SC27H23ClO5c1218122125(1424(18)32151753620(28)1117)331622(27(21)29)19782326(1319)3110493023h358111416H2491015H21H3
MFCD04146744
ZINC000002107526
ZINC02107526
ZINC2107526
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