Vitas-M small molecule compound
3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl octanoate
Catalog ID
STK268590
SMILES CCCCCCCC(=O)Oc1cccc(c1)N1C(=O)c2c(C1=O)cccc2[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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-2-3-4-5-6-13-19(25)30-16-10-7-9-15(14-16)23-21(26)17-11-8-12-18(24(28)29)20(17)22(23)27/h7-12,14H,2-6,13H2,1H3InChIKey
GPRALVZGZOPTGZ-UHFFFAOYSA-NSynonyms
(3(4NITRO13DIOXOISOINDOL2YL)PHENYL)OCTANOATE
3(4nitro13dioxo13dihydro2Hisoindol2yl)phenyloctanoate
CCCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
CCCCCCCC(=O)Oc1cccc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC22H22N2O6c1234561319(25)3016107915(1416)2321(26)171181218(24(28)29)20(17)22(23)27h71214H2613H21H3
MFCD01174653
ZINC000002079023
ZINC02079023
ZINC2079023
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