Vitas-M small molecule compound
2-(4-hydroxy-2-methylphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295086
SMILES Oc1ccc(c(c1)C)n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[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 C19H11N3O7 MW 393.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11N3O7/c1-9-8-10(23)2-5-13(9)20-18(24)11-3-6-14(21(26)27)17-15(22(28)29)7-4-12(16(11)17)19(20)25/h2-8,23H,1H3InChIKey
RHNFSJJZOHWUBP-UHFFFAOYSA-NSynonyms
2(4hydroxy2methylphenyl)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(4hydroxy2methylphenyl)67dinitrobenzo(de)isoquinoline13dione
CC1=C(C=CC(=C1)O)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
InChI=1SC19H11N3O7c19810(23)2513(9)2018(24)113614(21(26)27)1715(22(28)29)7412(16(11)17)19(20)25h2823H1H3
MFCD00607457
Oc1ccc(c(c1)C)n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
ZINC000095470910
ZINC95470910
Check stock
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Check stock on Vitas-MAvailable files
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