Vitas-M small molecule compound
5-benzyl-3-(2-hydroxy-5-iodophenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK678783
SMILES CSCCC1(NC(C2C1C(=O)N(C2=O)Cc1ccccc1)c1cc(I)ccc1O)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 C23H23IN2O5S MW 566.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23IN2O5S/c1-32-10-9-23(22(30)31)18-17(19(25-23)15-11-14(24)7-8-16(15)27)20(28)26(21(18)29)12-13-5-3-2-4-6-13/h2-8,11,17-19,25,27H,9-10,12H2,1H3,(H,30,31)InChIKey
KRDVQZUTUDAXMY-UHFFFAOYSA-NSynonyms
5BENZYL1(2HYDROXY5IODOPHENYL)3(2METHYLSULFANYLETHYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
5BENZYL1(2HYDROXY5IODOPHENYL)3(2METHYLSULFANYLETHYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5benzyl3(2hydroxy5iodophenyl)1(2(methylsulfanyl)ethyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CSCCC1(C2C(C(N1)C3=C(C=CC(=C3)I)O)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O
InChI=1SC23H23IN2O5Sc13210923(22(30)31)1817(19(2523)151114(24)7816(15)27)20(28)26(21(18)29)12135324613h281117192527H91012H21H3(H3031)
MFCD03175188
ZINC000102999942
ZINC000245238333
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