Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2H-chromen-2-one
Catalog ID
STL537199
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OC/C=C/c1ccccc1
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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 C32H37NO5 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO5/c1-22-26-13-15-28(37-20-8-11-24-9-4-3-5-10-24)23(2)30(26)38-31(35)27(22)14-16-29(34)33-19-18-32(36)17-7-6-12-25(32)21-33/h3-5,8-11,13,15,25,36H,6-7,12,14,16-21H2,1-2H3/b11-8+InChIKey
WGNHGJQJUGDNBZ-DHZHZOJOSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)48dimethyl7((~(E))3phenylprop2enoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7(((2E)3phenylprop2en1yl)oxy)2Hchromen2one
5938424
7(cinnamyloxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
InChI=1SC32H37NO5c12226131528(37208112494351024)23(2)30(26)3831(35)27(22)141629(34)33191832(36)17761225(32)2133h3581113152536H6712141621H212H3b118+
MFCD31754495
O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCC=Cc1ccccc1
ZINC000002112398
ZINC000016032623
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