Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-{4-[(4-bromo-10-methoxy-7-methyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-8-yl)carbonyl]phenyl}prop-2-enamide
Catalog ID
STL523919
SMILES COc1c2C=C(N(CCc2c(c2c1OCO2)Br)C)C(=O)c1ccc(cc1)NC(=O)/C=C/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 C30H25BrN2O7 MW 605.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN2O7/c1-33-12-11-20-21(28(36-2)30-29(26(20)31)39-16-40-30)14-22(33)27(35)18-5-7-19(8-6-18)32-25(34)10-4-17-3-9-23-24(13-17)38-15-37-23/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,32,34)/b10-4+InChIKey
MLALVOXJWHSSOZ-ONNFQVAWSA-NSynonyms
(~(E))3(13benzodioxol5yl)~(N)(4(10bromo4methoxy7methyl89dihydro(13)dioxolo(45h)(3)benzazepine6carbonyl)phenyl)prop2enamide
(2E)3(13benzodioxol5yl)N(4((4bromo10methoxy7methyl67dihydro5H(13)dioxolo(45h)(3)benzazepin8yl)carbonyl)phenyl)prop2enamide
(E)3(benzo(d)(13)dioxol5yl)N(4(4bromo10methoxy7methyl67dihydro5H(13)dioxolo(4545)benzo(12d)azepine8carbonyl)phenyl)acrylamide
125429787
COc1c2C=C(N(CCc2c(c2c1OCO2)Br)C)C(=O)c1ccc(cc1)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC30H25BrN2O7c13312112021(28(362)3029(26(20)31)39164030)1422(33)27(35)185719(8618)3225(34)10417392324(1317)38153723h3101314H11121516H212H3(H3234)b104+
MFCD31753347
ZINC000524731174
ZINC524731174
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