Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate

Catalog ID
STK806616
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C24H18N2O7 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7/c27-20(16-7-1-8-17(13-16)26(31)32)14-33-21(28)11-4-12-25-23(29)18-9-2-5-15-6-3-10-19(22(15)18)24(25)30/h1-3,5-10,13H,4,11-12,14H2
InChIKey
RHAVLXLIKGKBNH-UHFFFAOYSA-N
Synonyms
325850-75-7
(2(3NITROPHENYL)2OXOETHYL)4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOATE
2(3nitrophenyl)2oxoethyl4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoate
325850757
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)OCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC24H18N2O7c2720(1671817(1316)26(31)32)143321(28)114122523(29)1892515631019(22(15)18)24(25)30h1351013H4111214H2
MFCD01115886
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCCn1c(=O)c2cccc3c2c(c1=O)ccc3
ZINC000011617284
ZINC11617284

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Available files

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