Vitas-M small molecule compound
7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4-(trifluoromethyl)-2H-chromen-2-one
Catalog ID
STL348247
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F
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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 C21H22F3NO5 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3NO5/c22-21(23,24)16-10-19(27)30-17-9-14(4-5-15(16)17)29-12-18(26)25-8-7-20(28)6-2-1-3-13(20)11-25/h4-5,9-10,13,28H,1-3,6-8,11-12H2InChIKey
UDCYTVFNIKYSDD-UHFFFAOYSA-NSynonyms
862105-00-87(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)4(trifluoromethyl)chromen2one
7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4(trifluoromethyl)2Hchromen2one
862105008
C1CCC2(CCN(CC2C1)C(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F)O
InChI=1SC21H22F3NO5c2221(2324)161019(27)3017914(4515(16)17)291218(26)258720(28)621313(20)1125h459101328H13681112H2
MFCD05686712
ZINC000009497776
ZINC000009497791
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