Vitas-M small molecule compound
3-({[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]carbonyl}amino)benzoic acid
Catalog ID
STK040646
SMILES O=C(c1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3[N+](=O)[O-])Nc1cccc(c1)C(=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 C26H15N3O7 MW 481.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H15N3O7/c30-23(27-16-6-1-5-15(12-16)26(33)34)14-4-2-7-17(13-14)28-24(31)19-9-3-8-18-21(29(35)36)11-10-20(22(18)19)25(28)32/h1-13H,(H,27,30)(H,33,34)InChIKey
FXNUAURXBXXGAI-UHFFFAOYSA-NSynonyms
3(((3(6NITRO13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PHENYL)CARBONYL)AMINO)BENZOICACID
3((3(6NITRO13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)BENZOYL)AMINO)BENZOICACID
3((3(6NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOYL)AMINO)BENZOICACID
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C5C(=C(C=C4)(N+)(=O)(O))C=CC=C5C3=O)C(=O)O
InChI=1SC26H15N3O7c3023(271661515(1216)26(33)34)1442717(1314)2824(31)199381821(29(35)36)111020(22(18)19)25(28)32h113H(H2730)(H3334)
MFCD02189516
O=C(c1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O))Nc1cccc(c1)C(=O)O
STK040646
ZINC000001163392
ZINC1163392
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