Vitas-M small molecule compound
2-(4-ethoxyphenyl)-6-[(3-hydroxypropyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294730
SMILES OCCCNc1c2cccc3c2c(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 C23H21N3O6 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6/c1-2-32-15-9-7-14(8-10-15)25-22(28)17-6-3-5-16-20(17)18(23(25)29)13-19(26(30)31)21(16)24-11-4-12-27/h3,5-10,13,24,27H,2,4,11-12H2,1H3InChIKey
AJFKCVOECMUIGG-UHFFFAOYSA-NSynonyms
2(4ethoxyphenyl)6((3hydroxypropyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4ethoxyphenyl)6(3hydroxypropylamino)5nitrobenzo(de)isoquinoline13dione
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCCO)(N+)(=O)(O))C2=O
InChI=1SC23H21N3O6c1232159714(81015)2522(28)176351620(17)18(23(25)29)1319(26(30)31)21(16)241141227h3510132427H241112H21H3
MFCD28032776
OCCCNc1c2cccc3c2c(cc1(N+)(=O)(O))c(=O)n(c3=O)c1ccc(cc1)OCC
ZINC000095470812
ZINC95470812
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