Vitas-M small molecule compound
5-hydroxy-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one
Catalog ID
STL472560
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1cc(O)c2c(c1)OC(CC2=O)(C)C
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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 C22H29NO6 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO6/c1-21(2)11-17(25)20-16(24)9-15(10-18(20)29-21)28-13-19(26)23-8-7-22(27)6-4-3-5-14(22)12-23/h9-10,14,24,27H,3-8,11-13H2,1-2H3InChIKey
DQZZSBADVBDGNP-UHFFFAOYSA-NSynonyms
5hydroxy7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)22dimethyl23dihydro4Hchromen4one
5hydroxy7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)22dimethylchroman4one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)5hydroxy22dimethyl3Hchromen4one
CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)N3CCC4(CCCCC4C3)O)O)C
InChI=1SC22H29NO6c121(2)1117(25)2016(24)915(1018(20)2921)281319(26)238722(27)643514(22)1223h910142427H381113H212H3
MFCD27962345
ZINC000085874710
ZINC000096125630
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