Vitas-M small molecule compound

6-[(3-hydroxypropyl)amino]-2-(2-methoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294706
SMILES OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccccc1OC)[N+](=O)[O-]

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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/c1-31-18-9-3-2-8-16(18)24-21(27)14-7-4-6-13-19(14)15(22(24)28)12-17(25(29)30)20(13)23-10-5-11-26/h2-4,6-9,12,23,26H,5,10-11H2,1H3
InChIKey
NGHADAJRHYQHMU-UHFFFAOYSA-N
Synonyms

6((3hydroxypropyl)amino)2(2methoxyphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6(3hydroxypropylamino)2(2methoxyphenyl)5nitrobenzo(de)isoquinoline13dione
COC1=CC=CC=C1N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCCO)(N+)(=O)(O))C2=O
InChI=1SC22H19N3O6c13118932816(18)2421(27)147461319(14)15(22(24)28)1217(25(29)30)20(13)231051126h2469122326H51011H21H3
MFCD28032752
OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1ccccc1OC)(N+)(=O)(O)
ZINC000095470790
ZINC95470790

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Available files

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