Vitas-M small molecule compound
2-(4-ethoxyphenyl)-6-[(3-methoxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294714
SMILES COCCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(cc1)OCC
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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 C24H23N3O6 MW 449.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O6/c1-3-33-16-10-8-15(9-11-16)26-23(28)18-7-4-6-17-21(18)19(24(26)29)14-20(27(30)31)22(17)25-12-5-13-32-2/h4,6-11,14,25H,3,5,12-13H2,1-2H3InChIKey
OATXTVXLOJRGQP-UHFFFAOYSA-NSynonyms
2(4ethoxyphenyl)6((3methoxypropyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4ethoxyphenyl)6(3methoxypropylamino)5nitrobenzo(de)isoquinoline13dione
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCCOC)(N+)(=O)(O))C2=O
COCCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)OCC
InChI=1SC24H23N3O6c13331610815(91116)2623(28)187461721(18)19(24(26)29)1420(27(30)31)22(17)2512513322h46111425H351213H212H3
MFCD28032760
ZINC000095470798
ZINC95470798
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