Vitas-M small molecule compound
2-{2-[4,5-dimethoxy-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}sulfonyl)phenyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK541891
SMILES COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)C/C=C/c1ccccc1
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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 C35H35N3O6S MW 625.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O6S/c1-43-30-23-27(16-18-38-34(39)28-14-6-12-26-13-7-15-29(33(26)28)35(38)40)32(24-31(30)44-2)45(41,42)37-21-19-36(20-22-37)17-8-11-25-9-4-3-5-10-25/h3-15,23-24H,16-22H2,1-2H3/b11-8+InChIKey
IUVWRIKVFFFLKN-DHZHZOJOSA-NSynonyms
(E)2(2((4cinnamylpiperazin1yl)sulfonyl)45dimethoxyphenethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(45dimethoxy2((4((2E)3phenylprop2en1yl)piperazin1yl)sulfonyl)phenyl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(45DIMETHOXY2(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)SULFONYLPHENYL)ETHYL)BENZO(DE)ISOQUINOLINE13DIONE
COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCN(CC5)CC=CC6=CC=CC=C6)OC
COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)CC=Cc1ccccc1
InChI=1SC35H35N3O6Sc143302327(16183834(39)2814612261371529(33(26)28)35(38)40)32(2431(30)442)45(4142)37211936(202237)178112594351025h3152324H1622H212H3b118+
MFCD03066902
ZINC000008433156
ZINC8433156
Check stock
See real-time availability and sample size for STK541891 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.