Vitas-M small molecule compound

3-hexyl-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one

Catalog ID
STL461102
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(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 C28H39NO5 MW 469.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO5/c1-4-5-6-7-11-23-19(2)22-12-13-24(20(3)26(22)34-27(23)31)33-18-25(30)29-16-15-28(32)14-9-8-10-21(28)17-29/h12-13,21,32H,4-11,14-18H2,1-3H3
InChIKey
WYHIJADFABYGQF-UHFFFAOYSA-N
Synonyms

3hexyl7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)48dimethyl2Hchromen2one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)3hexyl48dimethylchromen2one
CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)N3CCC4(CCCCC4C3)O)C)OC1=O)C
InChI=1SC28H39NO5c14567112319(2)22121324(20(3)26(22)3427(23)31)331825(30)29161528(32)14981021(28)1729h12132132H4111418H213H3
MFCD10040767
ZINC000002111740
ZINC000011866937

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Available files

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