Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK566390
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC[NH+](CC)CC)/[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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-7-30(8-2)18-9-19-31-25(20-10-14-22(15-11-20)29(3,4)5)24(27(33)28(31)34)26(32)21-12-16-23(35-6)17-13-21/h10-17,25,32H,7-9,18-19H2,1-6H3/b26-24+InChIKey
PQYCECYPIBMUDB-SHHOIMCASA-NSynonyms
636991-92-9(4E)5(4TERTBUTYLPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
636991929
CCN(CC)CCCN1C(C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC=C(C=C3)C(C)(C)C
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)(CC)CC)(O)
InChI=1SC29H38N2O4c1730(82)189193125(20101422(151120)29(34)5)24(27(33)28(31)34)26(32)21121623(356)171321h10172532H791819H216H3b2624+
MFCD18245010
ZINC000009065081
ZINC000009178324
Check stock
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Check stock on Vitas-MAvailable files
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