Vitas-M small molecule compound
2-(4-ethoxyphenyl)-6-[(2-hydroxyethyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294723
SMILES OCCNc1c2cccc3c2c(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 C22H19N3O6 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6/c1-2-31-14-8-6-13(7-9-14)24-21(27)16-5-3-4-15-19(16)17(22(24)28)12-18(25(29)30)20(15)23-10-11-26/h3-9,12,23,26H,2,10-11H2,1H3InChIKey
CHCZHVPKYYPEBH-UHFFFAOYSA-NSynonyms
2(4ethoxyphenyl)6((2hydroxyethyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4ethoxyphenyl)6(2hydroxyethylamino)5nitrobenzo(de)isoquinoline13dione
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCO)(N+)(=O)(O))C2=O
InChI=1SC22H19N3O6c1231148613(7914)2421(27)165341519(16)17(22(24)28)1218(25(29)30)20(15)23101126h39122326H21011H21H3
MFCD28032769
OCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)OCC
ZINC000095470805
ZINC95470805
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