Vitas-M small molecule compound
6-[(4-bromo-2,3-dimethylphenyl)amino]-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL380124
SMILES OCCn1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Nc1ccc(c(c1C)C)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 C22H18BrN3O5 MW 484.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O5/c1-11-12(2)17(7-6-16(11)23)24-20-13-4-3-5-14-19(13)15(10-18(20)26(30)31)22(29)25(8-9-27)21(14)28/h3-7,10,24,27H,8-9H2,1-2H3InChIKey
PKYWODXYJGKWGJ-UHFFFAOYSA-NSynonyms
6((4bromo23dimethylphenyl)amino)2(2hydroxyethyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6(4bromo23dimethylanilino)2(2hydroxyethyl)5nitrobenzo(de)isoquinoline13dione
CC1=C(C=CC(=C1C)Br)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCO)(N+)(=O)(O)
InChI=1SC22H18BrN3O5c11112(2)17(7616(11)23)2420134351419(13)15(1018(20)26(30)31)22(29)25(8927)21(14)28h37102427H89H212H3
MFCD05041920
OCCn1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)Nc1ccc(c(c1C)C)Br
ZINC000004003749
ZINC4003749
Check stock
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