Vitas-M small molecule compound
5-bromo-2-({[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]carbonyl}amino)benzoic acid
Catalog ID
STK299900
SMILES Brc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3[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 C26H14BrN3O7 MW 560.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H14BrN3O7/c27-14-7-9-20(19(12-14)26(34)35)28-23(31)13-3-1-4-15(11-13)29-24(32)17-6-2-5-16-21(30(36)37)10-8-18(22(16)17)25(29)33/h1-12H,(H,28,31)(H,34,35)InChIKey
LEALQPKWODJFOC-UHFFFAOYSA-NSynonyms
5bromo2(((3(6nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)phenyl)carbonyl)amino)benzoicacid
5BROMO2((3(6NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOYL)AMINO)BENZOICACID
Brc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=C4C2=O)C(=O)NC5=C(C=C(C=C5)Br)C(=O)O
InChI=1SC26H14BrN3O7c27147920(19(1214)26(34)35)2823(31)1331415(1113)2924(32)176251621(30(36)37)10818(22(16)17)25(29)33h112H(H2831)(H3435)
MFCD01811193
ZINC000000857579
ZINC857579
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