Vitas-M small molecule compound
2-(4-nitrophenyl)-2-oxoethyl 3-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK274596
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1C)OCC(=O)c1ccc(cc1)[N+](=O)[O-]
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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/c1-13-9-16-11-19(13)22-21(16)23(29)26(24(22)30)18-4-2-3-15(10-18)25(31)34-12-20(28)14-5-7-17(8-6-14)27(32)33/h2-10,16,19,21-22H,11-12H2,1H3InChIKey
HWCDJEXOLMOTBA-UHFFFAOYSA-NSynonyms
2(4nitrophenyl)2oxoethyl3(5methyl13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H20N2O7c1139161119(13)2221(16)23(29)26(24(22)30)1842315(1018)25(31)341220(28)145717(8614)27(32)33h21016192122H1112H21H3
MFCD02870285
O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1C)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000100887648
ZINC000101875767
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