Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-2,3,6,7,11,12-hexahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinolin-4-one
Catalog ID
STK586640
SMILES O=C1CC(C=C2N1CCc1c2cc2c(c1)OCCCO2)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 C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c25-23-11-16(14-2-3-19-20(9-14)29-13-28-19)8-18-17-12-22-21(26-6-1-7-27-22)10-15(17)4-5-24(18)23/h2-3,8-10,12,16H,1,4-7,11,13H2InChIKey
HSJNNNDJEASXEI-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)23671112hexahydro4H10H(14)dioxepino(23g)pyrido(21a)isoquinolin4one
2(benzo(d)(13)dioxol5yl)23671112hexahydro(14)dioxepino(23g)pyrido(21a)isoquinolin4(10H)one
C1COC2=C(C=C3C(=C2)CCN4C3=CC(CC4=O)C5=CC6=C(C=C5)OCO6)OC1
InChI=1SC23H21NO5c25231116(14231920(914)29132819)81817122221(266172722)1015(17)4524(18)23h238101216H1471113H2
MFCD07641489
ZINC000005452119
ZINC000005452120
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