Vitas-M small molecule compound

4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-2-nitrophenyl acetate

Catalog ID
STL384069
SMILES CC(=O)Oc1ccc(cc1[N+](=O)[O-])N1C(=O)C2C(C1=O)C1C=CC2C2C1C2

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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 C19H16N2O6 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O6/c1-8(22)27-15-5-2-9(6-14(15)21(25)26)20-18(23)16-10-3-4-11(13-7-12(10)13)17(16)19(20)24/h2-6,10-13,16-17H,7H2,1H3
InChIKey
TWNYYNOOHDOFDF-UHFFFAOYSA-N
Synonyms

4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)2nitrophenylacetate
CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C=CC2C2C1C2
InChI=1SC19H16N2O6c18(22)2715529(614(15)21(25)26)2018(23)16103411(13712(10)13)17(16)19(20)24h2610131617H7H21H3
MFCD03992998
ZINC000195460000
ZINC000245226951

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Available files

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