Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-7-(naphthalen-2-ylmethoxy)-2H-chromen-2-one
Catalog ID
STL461178
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2)OCc1ccc2c(c1)cccc2
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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 C32H33NO5 MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33NO5/c1-21-27-12-11-26(37-20-22-9-10-23-6-2-3-7-24(23)16-22)17-29(27)38-31(35)28(21)18-30(34)33-15-14-32(36)13-5-4-8-25(32)19-33/h2-3,6-7,9-12,16-17,25,36H,4-5,8,13-15,18-20H2,1H3InChIKey
WQZQPQLZXUAVFB-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)4methyl7(naphthalen2ylmethoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)4methyl7(naphthalen2ylmethoxy)2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC4=CC=CC=C4C=C3)CC(=O)N5CCC6(CCCCC6C5)O
InChI=1SC32H33NO5c12127121126(37202291023623724(23)1622)1729(27)3831(35)28(21)1830(34)33151432(36)1354825(32)1933h236791216172536H45813151820H21H3
MFCD10040840
ZINC000002109982
ZINC000011867122
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