Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK598401
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C
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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 C26H31FN2O5 MW 470.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN2O5/c1-6-33-19-10-7-17(8-11-19)23-22(25(31)26(32)29(23)14-13-28(4)5)24(30)18-9-12-21(20(27)15-18)34-16(2)3/h7-12,15-16,23,30H,6,13-14H2,1-5H3/b24-22+InChIKey
ROWHJGLKSLBQEZ-ZNTNEXAZSA-NSynonyms
902047-79-4(4E)1(2(dimethylamino)ethyl)5(4ethoxyphenyl)4((3fluoro4propan2yloxyphenyl)hydroxymethylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(4ETHOXYPHENYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
902047794
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC(C)C)F)O)C(=O)C(=O)N2CCN(C)C
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC26H31FN2O5c16331910717(81119)2322(25(31)26(32)29(23)141328(4)5)24(30)1891221(20(27)1518)3416(2)3h71215162330H61314H215H3b2422+
MFCD18246086
ZINC000102625057
ZINC000102625066
Check stock
See real-time availability and sample size for STK598401 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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