Vitas-M small molecule compound
N-{4-[(4-bromo-10-methoxy-7-methyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-8-yl)carbonyl]phenyl}-2,6-difluorobenzamide
Catalog ID
STL523350
SMILES COc1c2C=C(N(CCc2c(c2c1OCO2)Br)C)C(=O)c1ccc(cc1)NC(=O)c1c(F)cccc1F
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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 C27H21BrF2N2O5 MW 571.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrF2N2O5/c1-32-11-10-16-17(24(35-2)26-25(22(16)28)36-13-37-26)12-20(32)23(33)14-6-8-15(9-7-14)31-27(34)21-18(29)4-3-5-19(21)30/h3-9,12H,10-11,13H2,1-2H3,(H,31,34)InChIKey
WHJHCQZTDUEHRA-UHFFFAOYSA-NSynonyms
~(N)(4(10bromo4methoxy7methyl89dihydro(13)dioxolo(45h)(3)benzazepine6carbonyl)phenyl)26difluorobenzamide
125428118
InChI=1SC27H21BrF2N2O5c13211101617(24(352)2625(22(16)28)36133726)1220(32)23(33)146815(9714)3127(34)2118(29)43519(21)30h3912H101113H212H3(H3134)
MFCD31752783
N(4((4bromo10methoxy7methyl67dihydro5H(13)dioxolo(45h)(3)benzazepin8yl)carbonyl)phenyl)26difluorobenzamide
N(4(4bromo10methoxy7methyl67dihydro5H(13)dioxolo(4545)benzo(12d)azepine8carbonyl)phenyl)26difluorobenzamide
ZINC000524729506
ZINC524729506
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