Vitas-M small molecule compound
2-(2-methyl-5-nitrophenyl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STL387381
SMILES O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1C)[N+](=O)[O-])C1C3C1
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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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-8-2-3-9(20(23)24)6-14(8)19-17(21)15-10-4-5-11(13-7-12(10)13)16(15)18(19)22/h2-6,10-13,15-16H,7H2,1H3InChIKey
VHKRHDANWAQKGM-UHFFFAOYSA-NSynonyms
2(2methyl5nitrophenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC18H16N2O4c18239(20(23)24)614(8)1917(21)15104511(13712(10)13)16(15)18(19)22h2610131516H7H21H3
MFCD02084451
O=C1C2C3C=CC(C2C(=O)N1c1cc(ccc1C)(N+)(=O)(O))C1C3C1
ZINC000239425807
ZINC000239425810
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