Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK269500
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1C=CC2C1

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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/c1-13-2-3-15(11-19(13)27(32)33)20(28)12-34-25(31)14-6-8-18(9-7-14)26-23(29)21-16-4-5-17(10-16)22(21)24(26)30/h2-9,11,16-17,21-22H,10,12H2,1H3
InChIKey
JEYWVUYUZSDNDC-UHFFFAOYSA-N
Synonyms

2(4methyl3nitrophenyl)2oxoethyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)(N+)(=O)(O)
InChI=1SC25H20N2O7c1132315(1119(13)27(32)33)20(28)123425(31)146818(9714)2623(29)21164517(1016)22(21)24(26)30h291116172122H1012H21H3
MFCD02318457
O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1C=CC2C1
ZINC000100744685
ZINC000239121052

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Available files

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