Vitas-M small molecule compound

3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-bromobenzoate

Catalog ID
STL052719
SMILES Brc1ccc(cc1)C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)C(C)(C)C)C(F)(F)F

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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 C27H20BrF3O5 MW 561.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrF3O5/c1-26(2,3)16-6-10-18(11-7-16)34-23-22(32)20-13-12-19(14-21(20)36-24(23)27(29,30)31)35-25(33)15-4-8-17(28)9-5-15/h4-14H,1-3H3
InChIKey
KTROPTZGTQFPCB-UHFFFAOYSA-N
Synonyms

(3(4TERTBUTYLPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)4BROMOBENZOATE
3(4(tertbutyl)phenoxy)4oxo2(trifluoromethyl)4Hchromen7yl4bromobenzoate
3(4(TERTBUTYL)PHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL4BROMOBENZOATE
3(4tertbutylphenoxy)4oxo2(trifluoromethyl)4Hchromen7yl4bromobenzoate
CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(F)(F)F
InChI=1SC27H20BrF3O5c126(23)1661018(11716)342322(32)20131219(1421(20)3624(23)27(2930)31)3525(33)154817(28)9515h414H13H3
MFCD02079848
ZINC000001750911
ZINC01750911
ZINC1750911

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Available files

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