Vitas-M small molecule compound

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

Catalog ID
STK680194
SMILES CCCCN1C(=O)C2C(C1=O)C(NC2c1cccc(c1O)OC)(CC(C)C)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 C22H30N2O6 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O6/c1-5-6-10-24-19(26)15-16(20(24)27)22(21(28)29,11-12(2)3)23-17(15)13-8-7-9-14(30-4)18(13)25/h7-9,12,15-17,23,25H,5-6,10-11H2,1-4H3,(H,28,29)
InChIKey
WJCIXUMIZZRTKY-UHFFFAOYSA-N
Synonyms
5BUTYL1(2HYDROXY3METHOXYPHENYL)3(2METHYLPROPYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
5BUTYL1(2HYDROXY3METHOXYPHENYL)3(2METHYLPROPYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5butyl3(2hydroxy3methoxyphenyl)1(2methylpropyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCCCN1C(=O)C2C(C1=O)C((NH2+)C2C3=C(C(=CC=C3)OC)O)(CC(C)C)C(=O)(O)
Registry IDs
MFCD03766884
ZINC000019848806
ZINC000245257071

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Available files

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