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(E)-{2-[4-(dimethylamino)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate

Catalog ID
STL057774
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)Cc1cc[nH+]cc1)/[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 C33H31N3O4 MW 533.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O4/c1-22-5-4-6-24(19-22)21-40-28-13-9-26(10-14-28)31(37)29-30(25-7-11-27(12-8-25)35(2)3)36(33(39)32(29)38)20-23-15-17-34-18-16-23/h4-19,30,37H,20-21H2,1-3H3/b31-29+
InChIKey
GJTAZYAZOLELDF-OWWNRXNESA-N
Synonyms
839702-64-6
(4E)5(4DIMETHYLAMINOPHENYL)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4(dimethylamino)phenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)(4((3methylphenyl)methoxy)phenyl)methanolate
(E)(2(4(dimethylamino)phenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
(E)(2(4DIMETHYLAMINOPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
839702646
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC=C(C=C5)N(C)C)(O)
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)Cc1cc(nH+)cc1)(O)
InChI=1SC33H31N3O4c12254624(1922)21402813926(101428)31(37)2930(2571127(12825)35(2)3)36(33(39)32(29)38)2023151734181623h4193037H2021H213H3b3129+
MFCD18249832
ZINC000102897831
ZINC000102897833

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Available files

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