Vitas-M small molecule compound
2-(3-methoxyphenyl)-2-oxoethyl 3-methyl-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
Catalog ID
STK252688
SMILES COc1cccc(c1)C(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C(C)C
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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/c1-12(2)19(22(28)32-11-17(25)13-6-4-7-14(10-13)31-3)23-20(26)15-8-5-9-16(24(29)30)18(15)21(23)27/h4-10,12,19H,11H2,1-3H3InChIKey
NCEJFFHZBGUGGZ-UHFFFAOYSA-NSynonyms
(2(3METHOXYPHENYL)2OXOETHYL)3METHYL2(4NITRO13DIOXOISOINDOL2YL)BUTANOATE
2(3METHOXYPHENYL)2OXOETHYL3METHYL2(4NITRO13DIOXO13DIHYDRO2HISOINDOL2YL)BUTANOATE
CC(C)C(C(=O)OCC(=O)C1=CC(=CC=C1)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
COc1cccc(c1)C(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C(C)C
InChI=1SC22H20N2O8c112(2)19(22(28)321117(25)1364714(1013)313)2320(26)1585916(24(29)30)18(15)21(23)27h4101219H11H213H3
MFCD03146026
ZINC000002995590
ZINC000002995591
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