Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Catalog ID
STL150361
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1ccccc1C)/[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 C32H36N2O7 MW 560.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O7/c1-20-9-7-8-10-22(20)19-41-24-13-11-21(12-14-24)29(35)27-28(34(16-15-33(2)3)32(37)30(27)36)23-17-25(38-4)31(40-6)26(18-23)39-5/h7-14,17-18,28,35H,15-16,19H2,1-6H3/b29-27+InChIKey
VFLYVOYLGVNDMD-ORIPQNMZSA-NSynonyms
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(4((2methylbenzyl)oxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(4((2METHYLPHENYL)METHOXY)PHENYL)METHANOLATE
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC(=C(C(=C4)OC)OC)OC)(O)
COc1cc(cc(c1OC)OC)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCc1ccccc1C)(O)
InChI=1SC32H36N2O7c1209781022(20)194124131121(121424)29(35)2728(34(161533(2)3)32(37)30(27)36)231725(384)31(406)26(1823)395h71417182835H151619H216H3b2927+
MFCD20755808
ZINC000102930510
ZINC000102930514
Check stock
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Check stock on Vitas-MAvailable files
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