Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

Catalog ID
STK269502
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl

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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 C20H12Cl4N2O7 MW 534.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl4N2O7/c1-8-2-3-9(6-10(8)26(31)32)11(27)7-33-12(28)4-5-25-19(29)13-14(20(25)30)16(22)18(24)17(23)15(13)21/h2-3,6H,4-5,7H2,1H3
InChIKey
NSBDBCNXCVVDCY-UHFFFAOYSA-N
Synonyms

(2(4methyl3nitrophenyl)2oxoethyl)3(4567tetrachloro13dioxoisoindol2yl)propanoate
2(4methyl3nitrophenyl)2oxoethyl3(4567tetrachloro13dioxo13dihydro2Hisoindol2yl)propanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)(N+)(=O)(O)
InChI=1SC20H12Cl4N2O7c18239(610(8)26(31)32)11(27)73312(28)452519(29)1314(20(25)30)16(22)18(24)17(23)15(13)21h236H457H21H3
MFCD02314533
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CCN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
ZINC000102074643
ZINC102074643

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Available files

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