Vitas-M small molecule compound
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 3,4-dimethoxybenzoate
Catalog ID
STL054181
SMILES COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1Br)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 C25H16BrF3O7 MW 565.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrF3O7/c1-32-18-10-7-13(11-20(18)33-2)24(31)34-14-8-9-15-19(12-14)36-23(25(27,28)29)22(21(15)30)35-17-6-4-3-5-16(17)26/h3-12H,1-2H3InChIKey
PUMUHSTZHGGLRM-UHFFFAOYSA-NSynonyms
(3(2BROMOPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL)34DIMETHOXYBENZOATE
3(2bromophenoxy)4oxo2(trifluoromethyl)4Hchromen7yl34dimethoxybenzoate
3(2BROMOPHENOXY)4OXO2(TRIFLUOROMETHYL)CHROMEN7YL34DIMETHOXYBENZOATE
COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4Br)OC
InChI=1SC25H16BrF3O7c1321810713(1120(18)332)24(31)3414891519(1214)3623(25(2728)29)22(21(15)30)3517643516(17)26h312H12H3
MFCD02079676
ZINC000001807415
ZINC01807415
ZINC1807415
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