Vitas-M small molecule compound
2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(3-phenyl-2,1-benzoxazol-5-yl)ethanone
Catalog ID
STL016480
SMILES COc1c2c(CCN(C2CC(=O)c2ccc3c(c2)c(on3)c2ccccc2)C)cc2c1OCO2
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-29-11-10-18-13-23-26(33-15-32-23)27(31-2)24(18)21(29)14-22(30)17-8-9-20-19(12-17)25(34-28-20)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11,14-15H2,1-2H3InChIKey
XNRBWDKGFKKHMX-UHFFFAOYSA-NSynonyms
2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)1(3phenyl21benzoxazol5yl)ethanone
2(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)1(3phenyl21benzoxazol5yl)ethanone
CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6)OC)OCO3
InChI=1SC27H24N2O5c129111018132326(33153223)27(312)24(18)21(29)1422(30)17892019(1217)25(342820)166435716h39121321H10111415H212H3
MFCD12968007
ZINC000036636075
ZINC000036636076
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