Vitas-M small molecule compound

2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK371018
SMILES COc1cc(CCN2C(=O)c3c(C2=O)cccc3[N+](=O)[O-])ccc1OC

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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 C18H16N2O6 MW 356.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O6/c1-25-14-7-6-11(10-15(14)26-2)8-9-19-17(21)12-4-3-5-13(20(23)24)16(12)18(19)22/h3-7,10H,8-9H2,1-2H3
InChIKey
DCIMAMXJCRRZOL-UHFFFAOYSA-N
Synonyms

2(2(34dimethoxyphenyl)ethyl)4nitro1Hisoindole13(2H)dione
2(2(34DIMETHOXYPHENYL)ETHYL)4NITROBENZO(C)AZOLIDINE13DIONE
2(2(34DIMETHOXYPHENYL)ETHYL)4NITROISOINDOLE13DIONE
COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O))OC
COc1cc(CCN2C(=O)c3c(C2=O)cccc3(N+)(=O)(O))ccc1OC
InChI=1SC18H16N2O6c125147611(1015(14)262)891917(21)1243513(20(23)24)16(12)18(19)22h3710H89H212H3
MFCD00365836
ZINC000003077531
ZINC03077531
ZINC3077531

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Available files

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