Vitas-M small molecule compound

4-butyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-8-methyl-2H-chromen-2-one

Catalog ID
STL461094
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OCC(=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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-3-4-7-18-14-23(28)31-24-17(2)21(10-9-20(18)24)30-16-22(27)26-13-12-25(29)11-6-5-8-19(25)15-26/h9-10,14,19,29H,3-8,11-13,15-16H2,1-2H3
InChIKey
FZDXWPBMMTUCCU-UHFFFAOYSA-N
Synonyms

4butyl7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)8methyl2Hchromen2one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)4butyl8methylchromen2one
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC4(CCCCC4C3)O
InChI=1SC25H33NO5c1347181423(28)312417(2)21(10920(18)24)301622(27)26131225(29)1165819(25)1526h910141929H3811131516H212H3
MFCD10040759
ZINC000002108791
ZINC000011866916

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.