Vitas-M small molecule compound

N'-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]oxy}-3,4-dimethoxybenzenecarboximidamide

Catalog ID
STK185779
SMILES COc1cc(ccc1OC)/C(=N/OC(=O)CCCN1C(=O)c2c(C1=O)cccc2)/N

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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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-28-16-10-9-13(12-17(16)29-2)19(22)23-30-18(25)8-5-11-24-20(26)14-6-3-4-7-15(14)21(24)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H2,22,23)
InChIKey
KSCBXXRGSRAWSZ-UHFFFAOYSA-N
Synonyms

((AMINO(34DIMETHOXYPHENYL)METHYLIDENE)AMINO)4(13DIOXOISOINDOL2YL)BUTANOATE
((E)(AMINO(34DIMETHOXYPHENYL)METHYLIDENE)AMINO)4(13DIOXOISOINDOL2YL)BUTANOATE
COC1=C(C=C(C=C1)C(=NOC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N)OC
COc1cc(ccc1OC)C(=NOC(=O)CCCN1C(=O)c2c(C1=O)cccc2)N
InChI=1SC21H21N3O6c1281610913(1217(16)292)19(22)233018(25)85112420(26)14634715(14)21(24)27h346791012H5811H212H3(H22223)
MFCD04219907
N((4(13DIOXO13DIHYDRO2HISOINDOL2YL)BUTANOYL)OXY)34DIMETHOXYBENZENECARBOXIMIDAMIDE
ZINC000004723535
ZINC04723535
ZINC4723535

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.