Vitas-M small molecule compound
7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-3,4-dimethyl-2H-chromen-2-one
Catalog ID
STL461098
SMILES O=C(C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-14-15(2)22(26)29-20-12-18(7-8-19(14)20)28-16(3)21(25)24-11-10-23(27)9-5-4-6-17(23)13-24/h7-8,12,16-17,27H,4-6,9-11,13H2,1-3H3InChIKey
XLNLCLWTBKGAEG-UHFFFAOYSA-NSynonyms
7((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)34dimethyl2Hchromen2one
7(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy34dimethylchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CCC4(CCCCC4C3)O)C
InChI=1SC23H29NO5c11415(2)22(26)29201218(7819(14)20)2816(3)21(25)24111023(27)954617(23)1324h7812161727H4691113H213H3
MFCD10040763
ZINC000002111212
ZINC000082058963
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