Vitas-M small molecule compound
(E)-(4-butoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK570031
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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/c1-4-5-17-32-20-9-7-19(8-10-20)23(29)21-22(18-11-13-26-14-12-18)28(25(31)24(21)30)16-6-15-27(2)3/h7-14,22,29H,4-6,15-17H2,1-3H3/b23-21+InChIKey
JJGIUEABQOUDIC-XTQSDGFTSA-NSynonyms
848203-77-0(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
848203770
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=NC=C3)O
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC25H31N3O4c1451732209719(81020)23(29)2122(18111326141218)28(25(31)24(21)30)1661527(2)3h7142229H461517H213H3b2321+
MFCD18245334
ZINC000102560220
ZINC000102560229
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