Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl][4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK560592
SMILES COc1cc(cc(c1OC)OC)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OCc1ccccc1)/[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 C34H32N2O7 MW 580.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N2O7/c1-21-15-25(43-20-22-9-6-5-7-10-22)12-13-26(21)31(37)29-30(24-16-27(40-2)33(42-4)28(17-24)41-3)36(34(39)32(29)38)19-23-11-8-14-35-18-23/h5-18,30,37H,19-20H2,1-4H3/b31-29+InChIKey
RMBJELRJJDBNNE-OWWNRXNESA-NSynonyms
(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4(benzyloxy)2methylphenyl)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=C(NH+)=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)(O)
COc1cc(cc(c1OC)OC)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC34H32N2O7c1211525(43202296571022)121326(21)31(37)2930(241627(402)33(424)28(1724)413)36(34(39)32(29)38)192311814351823h5183037H1920H214H3b3129+
MFCD18243576
ZINC000102497254
ZINC000102497264
Check stock
See real-time availability and sample size for STK560592 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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