Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK559092
SMILES CCOc1ccc(cc1OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)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 C30H40N2O6 MW 524.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O6/c1-8-37-24-13-10-21(17-25(24)36-7)27-26(29(34)30(35)32(27)15-9-14-31(5)6)28(33)22-11-12-23(20(4)16-22)38-18-19(2)3/h10-13,16-17,19,27,33H,8-9,14-15,18H2,1-7H3/b28-26+InChIKey
IAJSXMZPZKZYPG-BYCLXTJYSA-NSynonyms
488706-55-4(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488706554
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCCN(C)C)OC
CCOc1ccc(cc1OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC30H40N2O6c183724131021(1725(24)367)2726(29(34)30(35)32(27)1591431(5)6)28(33)22111223(20(4)1622)381819(2)3h10131617192733H89141518H217H3b2826+
MFCD18243189
ZINC000102484435
ZINC000102484443
Check stock
See real-time availability and sample size for STK559092 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.