Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-6-[(2-hydroxyethyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294722
SMILES OCCNc1c2cccc3c2c(cc1[N+](=O)[O-])c(=O)n(c3=O)c1ccc(c(c1)C)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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c1-12-6-7-14(10-13(12)2)24-21(27)16-5-3-4-15-19(16)17(22(24)28)11-18(25(29)30)20(15)23-8-9-26/h3-7,10-11,23,26H,8-9H2,1-2H3InChIKey
FXRAJGRJJZTADU-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)6((2hydroxyethyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(34dimethylphenyl)6(2hydroxyethylamino)5nitrobenzo(de)isoquinoline13dione
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCO)(N+)(=O)(O))C2=O)C
InChI=1SC22H19N3O5c1126714(1013(12)2)2421(27)165341519(16)17(22(24)28)1118(25(29)30)20(15)238926h3710112326H89H212H3
MFCD28032768
OCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(c(c1)C)C
ZINC000095470804
ZINC95470804
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