Vitas-M small molecule compound
6-[(3-hydroxypropyl)amino]-2-(3-methylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294728
SMILES OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1cccc(c1)C)[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 C22H19N3O5 MW 405.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5/c1-13-5-2-6-14(11-13)24-21(27)16-8-3-7-15-19(16)17(22(24)28)12-18(25(29)30)20(15)23-9-4-10-26/h2-3,5-8,11-12,23,26H,4,9-10H2,1H3InChIKey
RDSPPLQIUHCQFT-UHFFFAOYSA-NSynonyms
6((3hydroxypropyl)amino)2(3methylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6(3hydroxypropylamino)2(3methylphenyl)5nitrobenzo(de)isoquinoline13dione
CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4NCCCO)(N+)(=O)(O))C2=O
InChI=1SC22H19N3O5c11352614(1113)2421(27)168371519(16)17(22(24)28)1218(25(29)30)20(15)23941026h235811122326H4910H21H3
MFCD28032774
OCCCNc1c(cc2c3c1cccc3c(=O)n(c2=O)c1cccc(c1)C)(N+)(=O)(O)
ZINC000095470810
ZINC95470810
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