Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(3-methoxybenzyl)oxy]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL537721
SMILES COc1cccc(c1)COc1ccc2c(c1C)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 C30H35NO6 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO6/c1-19-24-10-11-26(36-18-21-7-6-9-23(15-21)35-3)20(2)28(24)37-29(33)25(19)16-27(32)31-14-13-30(34)12-5-4-8-22(30)17-31/h6-7,9-11,15,22,34H,4-5,8,12-14,16-18H2,1-3H3InChIKey
BSCVQOHXMYYUIK-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)7((3methoxyphenyl)methoxy)48dimethylchromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)7((3methoxybenzyl)oxy)48dimethyl2Hchromen2one
4561378
InChI=1SC30H35NO6c11924101126(36182176923(1521)353)20(2)28(24)3729(33)25(19)1627(32)31141330(34)1254822(30)1731h67911152234H45812141618H213H3
MFCD31754509
ZINC000002108960
ZINC000016032505
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