Vitas-M small molecule compound
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one
Catalog ID
STL461156
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
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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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c28-24(27-13-12-26(30)11-5-4-8-19(26)16-27)17-31-20-9-10-21-22(18-6-2-1-3-7-18)15-25(29)32-23(21)14-20/h1-3,6-7,9-10,14-15,19,30H,4-5,8,11-13,16-17H2InChIKey
GLMODHLCNVGQDF-UHFFFAOYSA-NSynonyms
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)4phenylchromen2one
7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4phenyl2Hchromen2one
C1CCC2(CCN(CC2C1)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=CC=C5)O
InChI=1SC26H27NO5c2824(27131226(30)1154819(26)1627)1731209102122(186213718)1525(29)3223(21)1420h136791014151930H45811131617H2
MFCD10040821
ZINC000002110705
ZINC000011867066
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