Vitas-M small molecule compound

1-benzyl-3-(2-hydroxy-3-methoxyphenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

Catalog ID
STK683506
SMILES COc1cccc(c1O)C1NC(C2C1C(=O)N(C2=O)C)(Cc1ccccc1)C(=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/c1-24-19(26)15-16(20(24)27)22(21(28)29,11-12-7-4-3-5-8-12)23-17(15)13-9-6-10-14(30-2)18(13)25/h3-10,15-17,23,25H,11H2,1-2H3,(H,28,29)
InChIKey
WSXGKZNFMSEMLJ-UHFFFAOYSA-N
Synonyms
1benzyl3(2hydroxy3methoxyphenyl)5methyl46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
3BENZYL1(2HYDROXY3METHOXYPHENYL)5METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
CN1C(=O)C2C(C1=O)C(NC2C3=C(C(=CC=C3)OC)O)(CC4=CC=CC=C4)C(=O)O
Registry IDs
MFCD03942371
ZINC000015319300
ZINC000245257193

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Available files

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