Vitas-M small molecule compound

(E)-{2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate

Catalog ID
STL149031
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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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 C21H22BrN3O3 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O3/c1-24(2)12-3-13-25-18(14-4-6-16(22)7-5-14)17(20(27)21(25)28)19(26)15-8-10-23-11-9-15/h4-11,18,26H,3,12-13H2,1-2H3/b19-17+
InChIKey
AKFSWZYZKVQPLR-HTXNQAPBSA-N
Synonyms
627476-48-6
(4E)5(4BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(4Z)5(4BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(2(4BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4BROMOPHENYL)3HYDROXY4(4PYRIDYLCARBONYL)3PYRROLIN2ONE
627476486
Brc1ccc(cc1)C1C(=C(c2ccncc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
CN(C)CCCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=CC=C(C=C3)Br
InChI=1SC21H22BrN3O3c124(2)123132518(144616(22)7514)17(20(27)21(25)28)19(26)158102311915h4111826H31213H212H3b1917+
MFCD20755522
ZINC000009236272
ZINC000009236278

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Available files

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