Vitas-M small molecule compound
2-(5-chloro-2-hydroxyphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295692
SMILES Clc1ccc(c(c1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[N+](=O)[O-])[N+](=O)[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 C18H8ClN3O7 MW 413.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H8ClN3O7/c19-9-1-2-15(23)14(5-9)20-17(24)12-6-10(21(26)27)3-8-4-11(22(28)29)7-13(16(8)12)18(20)25/h1-7,23HInChIKey
JVVJRYOIMNXOGG-UHFFFAOYSA-NSynonyms
2(5chloro2hydroxyphenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(5CHLORO2HYDROXYPHENYL)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
C1=CC(=C(C=C1Cl)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O))O
Clc1ccc(c(c1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O))O
InChI=1SC18H8ClN3O7c1991215(23)14(59)2017(24)12610(21(26)27)38411(22(28)29)713(16(8)12)18(20)25h1723H
MFCD00336515
ZINC000003154363
ZINC03154363
ZINC3154363
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