Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK269518
SMILES CC1C=CCC2C1C(=O)N(C2=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-14-9-10-16(12-20(14)27(32)33)21(28)13-34-25(31)17-6-4-7-18(11-17)26-23(29)19-8-3-5-15(2)22(19)24(26)30/h3-7,9-12,15,19,22H,8,13H2,1-2H3InChIKey
UJRCGSUNSKWWKQ-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)3(4METHYL13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
2(4methyl3nitrophenyl)2oxoethyl3(4methyl13dioxo133a477ahexahydro2Hisoindol2yl)benzoate
CC1C=CCC2C1C(=O)N(C2=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)C)(N+)(=O)(O)
InChI=1SC25H22N2O7c11491016(1220(14)27(32)33)21(28)133425(31)1764718(1117)2623(29)1983515(2)22(19)24(26)30h37912151922H813H212H3
MFCD02318536
ZINC000100744758
ZINC000101671156
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