Vitas-M small molecule compound

(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate

Catalog ID
STL043814
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-15-12-18(5-6-19(15)31-2)22(28)20-21(17-7-10-25-11-8-17)27(24(30)23(20)29)14-16-4-3-9-26-13-16/h3-13,21,28H,14H2,1-2H3/b22-20+
InChIKey
NBFHTNCTGSMPAT-LSDHQDQOSA-N
Synonyms

(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
3HYDROXY4(4METHOXY3METHYLBENZOYL)5(4PYRIDINYL)1(3PYRIDINYLMETHYL)15DIHYDRO2HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=NC=C4)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)(O)
InChI=1SC24H21N3O4c1151218(5619(15)312)22(28)2021(177102511817)27(24(30)23(20)29)1416439261316h3132128H14H212H3b2220+
MFCD18248293
ZINC000102873921
ZINC000102873925

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.