Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL045083
SMILES CCCCOc1ccc(cc1C)/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 C26H33N3O4 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O4/c1-5-6-16-33-21-9-8-20(17-18(21)2)24(30)22-23(19-10-12-27-13-11-19)29(26(32)25(22)31)15-7-14-28(3)4/h8-13,17,23,30H,5-7,14-16H2,1-4H3/b24-22+InChIKey
JRMKGPJUKOYSJB-ZNTNEXAZSA-NSynonyms
500277-48-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
4(4BUTOXY3METHYLBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5PYRIDIN4YL15DIHYDRO2HPYRROL2ONE
500277485
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=NC=C3)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC26H33N3O4c1561633219820(1718(21)2)24(30)2223(19101227131119)29(26(32)25(22)31)1571428(3)4h813172330H571416H214H3b2422+
MFCD18248557
ZINC000102877250
ZINC000102877252
Check stock
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Check stock on Vitas-MAvailable files
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