Vitas-M small molecule compound
6-bromo-2-[(3-chlorophenyl)amino]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294653
SMILES Clc1cccc(c1)Nn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Br
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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 C18H9BrClN3O4 MW 446.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9BrClN3O4/c19-16-11-5-2-6-12-15(11)13(8-14(16)23(26)27)18(25)22(17(12)24)21-10-4-1-3-9(20)7-10/h1-8,21HInChIKey
QNZYQUJBDHDJRS-UHFFFAOYSA-NSynonyms
6bromo2((3chlorophenyl)amino)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6bromo2(3chloroanilino)5nitrobenzo(de)isoquinoline13dione
C1=CC(=CC(=C1)Cl)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
Clc1cccc(c1)Nn1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)Br
InChI=1SC18H9BrClN3O4c1916115261215(11)13(814(16)23(26)27)18(25)22(17(12)24)21104139(20)710h1821H
MFCD00660053
ZINC000095470753
ZINC95470753
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