Vitas-M small molecule compound
2-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Catalog ID
STL295097
SMILES CCC(n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-])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 C16H11N3O8 MW 373.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O8/c1-2-9(16(22)23)17-14(20)7-3-5-10(18(24)25)13-11(19(26)27)6-4-8(12(7)13)15(17)21/h3-6,9H,2H2,1H3,(H,22,23)InChIKey
JXUGXLNOJSMPHL-UHFFFAOYSA-NSynonyms
2(67dinitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoicacid
2(67DINITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOICACID
CCC(C(=O)O)N1C(=O)C2=C3C(=CC=C(C3=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))C1=O
CCC(n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O))C(=O)O
InChI=1SC16H11N3O8c129(16(22)23)1714(20)73510(18(24)25)1311(19(26)27)648(12(7)13)15(17)21h369H2H21H3(H2223)
MFCD00697221
ZINC000016610034
ZINC000016610036
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