Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(4-methylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL537885
SMILES Cc1ccc(cc1)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19-7-9-22(10-8-19)18-35-26-12-11-24-20(2)25(29(33)36-28(24)21(26)3)16-27(32)31-15-14-30(34)13-5-4-6-23(30)17-31/h7-12,23,34H,4-6,13-18H2,1-3H3InChIKey
ZNMXXUPBGSQMME-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)48dimethyl7((4methylphenyl)methoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl7((4methylbenzyl)oxy)2Hchromen2one
3843520
InChI=1SC30H35NO5c1197922(10819)18352612112420(2)25(29(33)3628(24)21(26)3)1627(32)31151430(34)1354623(30)1731h7122334H461318H213H3
MFCD31754516
ZINC000002108422
ZINC000015953923
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