Vitas-M small molecule compound

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

Catalog ID
STK900084
SMILES Cc1oc2cc(OCc3c(F)c(F)c(c(c3F)F)F)ccc2c(=O)c1c1ccc2c(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 C26H17F5O5 MW 504.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17F5O5/c1-12-20(13-3-6-17-19(9-13)34-8-2-7-33-17)26(32)15-5-4-14(10-18(15)36-12)35-11-16-21(27)23(29)25(31)24(30)22(16)28/h3-6,9-10H,2,7-8,11H2,1H3
InChIKey
SDFSOUSXZFKXBB-UHFFFAOYSA-N
Synonyms
301309-03-5
3(34dihydro2H15benzodioxepin7yl)2methyl7((23456pentafluorophenyl)methoxy)chromen4one
3(34dihydro2H15benzodioxepin7yl)2methyl7((pentafluorobenzyl)oxy)4Hchromen4one
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)2METHYL7((PERFLUOROPHENYL)METHOXY)4HCHROMEN4ONE
301309035
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=C(C(=C(C(=C3F)F)F)F)F)C4=CC5=C(C=C4)OCCCO5
InChI=1SC26H17F5O5c11220(13361719(913)348273317)26(32)155414(1018(15)3612)35111621(27)23(29)25(31)24(30)22(16)28h36910H27811H21H3
MFCD01325147
ZINC000001781315
ZINC01781315
ZINC1781315

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Available files

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