Vitas-M small molecule compound
(E)-[2-(3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL051269
SMILES COc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C32H28N2O5 MW 520.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O5/c1-21-5-3-6-23(17-21)20-39-26-11-9-24(10-12-26)30(35)28-29(25-7-4-8-27(18-25)38-2)34(32(37)31(28)36)19-22-13-15-33-16-14-22/h3-18,29,35H,19-20H2,1-2H3/b30-28+InChIKey
UWQPFFXHYFDPDP-SJCQXOIGSA-NSynonyms
835909-53-0(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3METHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)(4((3METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
(E)(2(3methoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(4((3methylbenzyl)oxy)phenyl)methanolate
835909530
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=NC=C4)C5=CC(=CC=C5)OC)O
COc1cccc(c1)C1C(=C(c2ccc(cc2)OCc2cccc(c2)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC32H28N2O5c12153623(1721)20392611924(101226)30(35)2829(2574827(1825)382)34(32(37)31(28)36)1922131533161422h3182935H1920H212H3b3028+
MFCD18249385
ZINC000102888134
ZINC000102888135
Check stock
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Check stock on Vitas-MAvailable files
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