Vitas-M small molecule compound
3-(3-{[(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl](methyl)amino}propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
Catalog ID
STL504713
SMILES COc1cc2CC(c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3InChIKey
ACRHBAYQBXXRTO-UHFFFAOYSA-NSynonyms
148870-59-1148870591
3(3(((34dimethoxybicyclo(420)octa135trien7yl)methyl)(methyl)amino)propyl)78dimethoxy1345tetrahydro2H3benzazepin2one
3(3((34dimethoxy7bicyclo(420)octa135trienyl)methylmethylamino)propyl)78dimethoxy25dihydro1~(H)3benzazepin4one
3(3((34DIMETHOXY7BICYCLO(420)OCTA135TRIENYL)METHYLMETHYLAMINO)PROPYL)78DIMETHOXY25DIHYDRO1H3BENZAZEPIN4ONE
6426711
InChI=1SC27H36N2O5c128(172111201425(334)26(345)1622(20)21)86929107181223(312)24(323)1319(18)1527(29)30h12141621H6111517H215H3
IVABRADINE()
IVABRADINE()FORM(MI)
MFCD00919008
ZINC000000537875
ZINC000003805768
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