Vitas-M small molecule compound
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Catalog ID
STL380122
SMILES OC(=O)CCCn1c(=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 C16H12N2O6 MW 328.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O6/c19-13(20)5-2-8-17-15(21)10-4-1-3-9-12(18(23)24)7-6-11(14(9)10)16(17)22/h1,3-4,6-7H,2,5,8H2,(H,19,20)InChIKey
IDVHGRZRZDBHOV-UHFFFAOYSA-NSynonyms
4(6nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoicacid
4(6NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOICACID
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)(N+)(=O)(O)
InChI=1SC16H12N2O6c1913(20)5281715(21)10413912(18(23)24)7611(14(9)10)16(17)22h13467H258H2(H1920)
MFCD03716307
OC(=O)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3(N+)(=O)(O)
ZINC000004172084
ZINC4172084
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