Vitas-M small molecule compound

[2-(2-chloro-5-nitrophenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methanediyl diacetate

Catalog ID
STK260127
SMILES CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cc(ccc1Cl)[N+](=O)[O-])OC(=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 C19H15ClN2O9 MW 450.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O9/c1-8(23)29-18(30-9(2)24)19-6-5-13(31-19)14-15(19)17(26)21(16(14)25)12-7-10(22(27)28)3-4-11(12)20/h3-7,13-15,18H,1-2H3
InChIKey
SUVMTDKQDXNCAK-UHFFFAOYSA-N
Synonyms

(2(2chloro5nitrophenyl)13dioxo1233a77ahexahydro4H47epoxyisoindol4yl)methanediyldiacetate
(acetyloxy(2(2chloro5nitrophenyl)13dioxo77adihydro3aHoctahydro1H47epoxyisoindol4yl)methyl)acetate
CC(=O)OC(C12C=CC(O1)C1C2C(=O)N(C1=O)c1cc(ccc1Cl)(N+)(=O)(O))OC(=O)C
CC(=O)OC(C12C=CC(O1)C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)OC(=O)C
InChI=1SC19H15ClN2O9c18(23)2918(309(2)24)196513(3119)1415(19)17(26)21(16(14)25)12710(22(27)28)3411(12)20h37131518H12H3
MFCD02623584
ZINC000009426256
ZINC000239412523

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Available files

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