Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK560819
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/[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 C30H38N2O7 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O7/c1-7-31(8-2)12-9-13-32-26(21-16-23(36-4)29(38-6)24(17-21)37-5)25(28(34)30(32)35)27(33)19-10-11-22-20(15-19)14-18(3)39-22/h10-11,15-18,26,33H,7-9,12-14H2,1-6H3/b27-25+InChIKey
SDOCADPXFBRFET-IMVLJIQESA-NSynonyms
578697-56-0(4E)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578697560
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)(O)
InChI=1SC30H38N2O7c1731(82)129133226(211623(364)29(386)24(1721)375)25(28(34)30(32)35)27(33)1910112220(1519)1418(3)3922h101115182633H791214H216H3b2725+
MFCD18243641
ZINC000102499166
ZINC000102643370
Check stock
See real-time availability and sample size for STK560819 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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