Vitas-M small molecule compound

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamide

Catalog ID
STK945096
SMILES COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C28H25N5O7S MW 575.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O7S/c1-39-24-16-22(30-28(31-24)40-2)32-41(37,38)19-13-11-18(12-14-19)29-23(34)10-5-15-33-26(35)20-8-3-6-17-7-4-9-21(25(17)20)27(33)36/h3-4,6-9,11-14,16H,5,10,15H2,1-2H3,(H,29,34)(H,30,31,32)
InChIKey
IOALVNGZLLIZIX-UHFFFAOYSA-N
Synonyms
496029-13-1
496029131
COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC
InChI=1SC28H25N5O7Sc139241622(3028(3124)402)3241(3738)19131118(121419)2923(34)105153326(35)208361774921(25(17)20)27(33)36h3469111416H51015H212H3(H2934)(H303132)
MFCD03619105
N(4((26dimethoxypyrimidin4yl)sulfamoyl)phenyl)4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanamide
N(4((26DIMETHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANAMIDE
N(4(N(26DIMETHOXYPYRIMIDIN4YL)SULFAMOYL)PHENYL)4(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)BUTANAMIDE
ZINC000006142959
ZINC06142959
ZINC6142959

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Available files

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