Vitas-M small molecule compound
7-[(3-fluorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL473476
SMILES Fc1cccc(c1)COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)N1CCC2(C(C1)CCCC2)O
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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 C30H34FNO5 MW 507.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34FNO5/c1-19-24-9-11-26(36-18-21-6-5-8-23(31)16-21)20(2)28(24)37-29(34)25(19)10-12-27(33)32-15-14-30(35)13-4-3-7-22(30)17-32/h5-6,8-9,11,16,22,35H,3-4,7,10,12-15,17-18H2,1-2H3InChIKey
BJCKZMRETOTYJH-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((3fluorophenyl)methoxy)48dimethylchromen2one
7((3fluorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=CC=C3)F)CCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC30H34FNO5c1192491126(36182165823(31)1621)20(2)28(24)3729(34)25(19)101227(33)32151430(35)1343722(30)1732h568911162235H3471012151718H212H3
MFCD27962684
ZINC000002111384
ZINC000015954878
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