Vitas-M small molecule compound

(4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-methylpyrrolidine-2,3-dione

Catalog ID
STK850800
SMILES COc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Br)\O)/C(=O)C(=O)N1C

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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 C19H16BrNO5 MW 418.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrNO5/c1-21-16(11-5-8-13(22)14(9-11)26-2)15(18(24)19(21)25)17(23)10-3-6-12(20)7-4-10/h3-9,16,22-23H,1-2H3/b17-15+
InChIKey
WZBICCVRRRPRAH-BMRADRMJSA-N
Synonyms
425426-82-0
(4E)4((4bromophenyl)(hydroxy)methylidene)5(4hydroxy3methoxyphenyl)1methylpyrrolidine23dione
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(4HYDROXY3METHOXYPHENYL)1METHYLPYRROLIDINE23DIONE
4((4BROMOPHENYL)CARBONYL)3HYDROXY5(4HYDROXY3METHOXYPHENYL)1METHYL25DIHYDRO1HPYRROL2ONE
425426820
CN1C(C(=C(C2=CC=C(C=C2)Br)O)C(=O)C1=O)C3=CC(=C(C=C3)O)OC
COc1cc(ccc1O)C1C(=C(c2ccc(cc2)Br)O)C(=O)C(=O)N1C
InChI=1SC19H16BrNO5c12116(115813(22)14(911)262)15(18(24)19(21)25)17(23)103612(20)7410h39162223H12H3b1715+
MFCD07210121
ZINC000102801905
ZINC000102801908

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Available files

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