Vitas-M small molecule compound
5-nitro-6-(pyrrolidin-1-yl)-1H,3H-benzo[de]isochromene-1,3-dione
Catalog ID
STL295793
SMILES [O-][N+](=O)c1cc2C(=O)OC(=O)c3c2c(c1N1CCCC1)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 C16H12N2O5 MW 312.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O5/c19-15-10-5-3-4-9-13(10)11(16(20)23-15)8-12(18(21)22)14(9)17-6-1-2-7-17/h3-5,8H,1-2,6-7H2InChIKey
VKVIVPOKYHUVBJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2C(=O)OC(=O)c3c2c(c1N1CCCC1)ccc3
5nitro6(pyrrolidin1yl)1H3Hbenzo(de)isochromene13dione
C1CCN(C1)C2=C(C=C3C4=C2C=CC=C4C(=O)OC3=O)(N+)(=O)(O)
InChI=1SC16H12N2O5c191510534913(10)11(16(20)2315)812(18(21)22)14(9)17612717h358H1267H2
MFCD28033146
ZINC000101123122
ZINC101123122
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