Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK269499
SMILES O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)C3
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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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-13-6-7-14(11-19(13)27(32)33)20(28)12-34-25(31)17-4-2-3-5-18(17)26-23(29)21-15-8-9-16(10-15)22(21)24(26)30/h2-9,11,15-16,21-22H,10,12H2,1H3InChIKey
AFYDRWOTDWEBLB-UHFFFAOYSA-NSynonyms
2(4methyl3nitrophenyl)2oxoethyl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C=C5)(N+)(=O)(O)
InChI=1SC25H20N2O7c1136714(1119(13)27(32)33)20(28)123425(31)17423518(17)2623(29)21158916(1015)22(21)24(26)30h291115162122H1012H21H3
MFCD02318456
O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)C3
ZINC000100744677
ZINC000238997415
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