Vitas-M small molecule compound

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

Catalog ID
STK268335
SMILES O=C(OCC(=O)c1ccc(cc1)[N+](=O)[O-])CCCCCN1C(=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 C22H16Cl4N2O7 MW 562.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl4N2O7/c23-17-15-16(18(24)20(26)19(17)25)22(32)27(21(15)31)9-3-1-2-4-14(30)35-10-13(29)11-5-7-12(8-6-11)28(33)34/h5-8H,1-4,9-10H2
InChIKey
TUDBZINMAYCQBX-UHFFFAOYSA-N
Synonyms

(2(4nitrophenyl)2oxoethyl)6(4567tetrachloro13dioxoisoindol2yl)hexanoate
2(4nitrophenyl)2oxoethyl6(4567tetrachloro13dioxo13dihydro2Hisoindol2yl)hexanoate
C1=CC(=CC=C1C(=O)COC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)(N+)(=O)(O)
InChI=1SC22H16Cl4N2O7c23171516(18(24)20(26)19(17)25)22(32)27(21(15)31)9312414(30)351013(29)115712(8611)28(33)34h58H14910H2
MFCD01138191
O=C(OCC(=O)c1ccc(cc1)(N+)(=O)(O))CCCCCN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
ZINC000002068015
ZINC02068015
ZINC2068015

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Available files

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