Vitas-M small molecule compound

4-nitrophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK274633
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]

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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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-13-2-11-18-19(12-13)21(26)23(20(18)25)15-5-3-14(4-6-15)22(27)30-17-9-7-16(8-10-17)24(28)29/h3-10,13,18-19H,2,11-12H2,1H3
InChIKey
BWQWNKSGRBXXRM-UHFFFAOYSA-N
Synonyms

(4nitrophenyl)4(5methyl13dioxo3a45677ahexahydroisoindol2yl)benzoate
4nitrophenyl4(5methyl13dioxooctahydro2Hisoindol2yl)benzoate
CC1CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)(N+)(=O)(O)
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H20N2O6c1132111819(1213)21(26)23(20(18)25)155314(4615)22(27)30179716(81017)24(28)29h310131819H21112H21H3
MFCD02871150
ZINC000004819696
ZINC000239025607

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Available files

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