Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 2-(2-methoxy-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK275580
SMILES COc1cc(ccc1N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)C(C)(C)C)[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 C22H20N2O8 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O8/c1-22(2,3)18(25)11-32-21(28)12-5-7-14-15(9-12)20(27)23(19(14)26)16-8-6-13(24(29)30)10-17(16)31-4/h5-10H,11H2,1-4H3InChIKey
KQAOUYIJAJJOTG-UHFFFAOYSA-NSynonyms
(33DIMETHYL2OXOBUTYL)2(2METHOXY4NITROPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
33dimethyl2oxobutyl2(2methoxy4nitrophenyl)13dioxo23dihydro1Hisoindole5carboxylate
33DIMETHYL2OXOBUTYL2(2METHOXY4NITROPHENYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)(N+)(=O)(O))OC
COc1cc(ccc1N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)C(C)(C)C)(N+)(=O)(O)
InChI=1SC22H20N2O8c122(23)18(25)113221(28)12571415(912)20(27)23(19(14)26)168613(24(29)30)1017(16)314h510H11H214H3
MFCD03037753
ZINC000008875080
ZINC08875080
ZINC8875080
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