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}-1,3-benzodioxole-5-carboxamide
Catalog ID
STL523675
SMILES COc1c2C=C(N(CCc2c(c2c1OCO2)Br)C)C(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)OCO2
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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 C28H23BrN2O7 MW 579.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN2O7/c1-31-10-9-18-19(25(34-2)27-26(23(18)29)37-14-38-27)12-20(31)24(32)15-3-6-17(7-4-15)30-28(33)16-5-8-21-22(11-16)36-13-35-21/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,30,33)InChIKey
NCSIQSTXXTZBSM-UHFFFAOYSA-NSynonyms
~(N)(4(10bromo4methoxy7methyl89dihydro(13)dioxolo(45h)(3)benzazepine6carbonyl)phenyl)13benzodioxole5carboxamide
125428493
InChI=1SC28H23BrN2O7c1311091819(25(342)2726(23(18)29)37143827)1220(31)24(32)153617(7415)3028(33)16582122(1116)36133521h381112H9101314H212H3(H3033)
MFCD31753105
N(4((4bromo10methoxy7methyl67dihydro5H(13)dioxolo(45h)(3)benzazepin8yl)carbonyl)phenyl)13benzodioxole5carboxamide
N(4(4bromo10methoxy7methyl67dihydro5H(13)dioxolo(4545)benzo(12d)azepine8carbonyl)phenyl)benzo(d)(13)dioxole5carboxamide
ZINC000524729882
ZINC524729882
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