Vitas-M small molecule compound

4-butyl-5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-7-methyl-2H-chromen-2-one

Catalog ID
STL461096
SMILES CCCCc1cc(=O)oc2c1c(OCC(=O)N1CCC3(C(C1)CCCC3)O)cc(c2)C

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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)31-21-13-17(2)12-20(24(18)21)30-16-22(27)26-11-10-25(29)9-6-5-8-19(25)15-26/h12-14,19,29H,3-11,15-16H2,1-2H3
InChIKey
WFOZOWBLYQCZSL-UHFFFAOYSA-N
Synonyms

4butyl5(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)7methyl2Hchromen2one
5(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)4butyl7methylchromen2one
CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC4(CCCCC4C3)O
InChI=1SC25H33NO5c1347181423(28)31211317(2)1220(24(18)21)301622(27)26111025(29)965819(25)1526h12141929H3111516H212H3
MFCD10040761
ZINC000011866919
ZINC000011866922

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Available files

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