Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK568638
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+](C)C)/[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 C25H31N3O4 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4/c1-4-5-16-32-20-11-9-18(10-12-20)23(29)21-22(19-8-6-13-26-17-19)28(25(31)24(21)30)15-7-14-27(2)3/h6,8-13,17,22,29H,4-5,7,14-16H2,1-3H3/b23-21+InChIKey
DSEMJFSTWYFXNB-XTQSDGFTSA-NSynonyms
847160-25-2(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
847160252
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CN=CC=C3)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(C)C)(O)
InChI=1SC25H31N3O4c14516322011918(101220)23(29)2122(198613261719)28(25(31)24(21)30)1571427(2)3h6813172229H4571416H213H3b2321+
MFCD18245242
ZINC000102553354
ZINC000102553363
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