Vitas-M small molecule compound
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Catalog ID
STL016481
SMILES COc1c2c(CCN(C2CC(=O)c2ccc3c(c2)c(on3)c2ccc(cc2)Cl)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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-30-10-9-17-12-23-26(34-14-33-23)27(32-2)24(17)21(30)13-22(31)16-5-8-20-19(11-16)25(35-29-20)15-3-6-18(28)7-4-15/h3-8,11-12,21H,9-10,13-14H2,1-2H3InChIKey
AKOAKDANCVVYEJ-UHFFFAOYSA-NSynonyms
1(3(4chlorophenyl)21benzoxazol5yl)2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)ethanone
1(3(4chlorophenyl)21benzoxazol5yl)2(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)ethanone
CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=C(C=C6)Cl)OC)OCO3
InChI=1SC27H23ClN2O5c13010917122326(34143323)27(322)24(17)21(30)1322(31)16582019(1116)25(352920)153618(28)7415h38111221H9101314H212H3
MFCD12968008
ZINC000036636077
ZINC000036636078
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