Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(4-methoxybenzyl)oxy]-4-methyl-2H-chromen-2-one
Catalog ID
STL461172
SMILES COc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-19-24-11-10-23(35-18-20-6-8-22(34-2)9-7-20)15-26(24)36-28(32)25(19)16-27(31)30-14-13-29(33)12-4-3-5-21(29)17-30/h6-11,15,21,33H,3-5,12-14,16-18H2,1-2H3InChIKey
AKZQULGYZCMNOE-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((4methoxyphenyl)methoxy)4methylchromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)7((4methoxybenzyl)oxy)4methyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)OC)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H33NO6c11924111023(3518206822(342)9720)1526(24)3628(32)25(19)1627(31)30141329(33)1243521(29)1730h611152133H3512141618H212H3
MFCD10040836
ZINC000002108545
ZINC000011867105
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