Vitas-M small molecule compound
5-benzyl-3-(2-hydroxy-4-methoxyphenyl)-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK679100
SMILES COc1ccc(c(c1)O)C1NC(C2C1C(=O)N(C2=O)Cc1ccccc1)(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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-22(21(28)29)17-16(18(23-22)14-9-8-13(30-2)10-15(14)25)19(26)24(20(17)27)11-12-6-4-3-5-7-12/h3-10,16-18,23,25H,11H2,1-2H3,(H,28,29)InChIKey
BAAZBPOREHGYMT-UHFFFAOYSA-NSynonyms
5BENZYL1(2HYDROXY4METHOXYPHENYL)3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
5BENZYL1(2HYDROXY4METHOXYPHENYL)3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5benzyl3(2hydroxy4methoxyphenyl)1methyl46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CC1(C2C(C((NH2+)1)C3=C(C=C(C=C3)OC)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)(O)
InChI=1SC22H22N2O6c122(21(28)29)1716(18(2322)149813(302)1015(14)25)19(26)24(20(17)27)11126435712h31016182325H11H212H3(H2829)
MFCD03196592
ZINC000004580329
ZINC000245254609
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