Vitas-M small molecule compound

(E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate

Catalog ID
STK561833
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)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 C24H19BrN2O4 MW 479.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN2O4/c1-31-19-10-6-17(7-11-19)22(28)20-21(16-4-8-18(25)9-5-16)27(24(30)23(20)29)14-15-3-2-12-26-13-15/h2-13,21,28H,14H2,1H3/b22-20+
InChIKey
UCCZCIAWBIGUQY-LSDHQDQOSA-N
Synonyms

(4E)5(4BROMOPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
(E)(2(4bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
5(4BROMOPHENYL)3HYDROXY4(4METHOXYBENZOYL)1(PYRIDIN3YLMETHYL)1HPYRROL2(5H)ONE
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Br)(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)Cc1ccc(nH+)c1)(O)
InChI=1SC24H19BrN2O4c1311910617(71119)22(28)2021(164818(25)9516)27(24(30)23(20)29)14153212261315h2132128H14H21H3b2220+
MFCD18243904
ZINC000102507404
ZINC000102507412

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Available files

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