Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK564689
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC[NH+](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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-15-13-17(32-4)8-9-18(15)23(29)21-22(16-7-10-19(28)20(14-16)33-5)27(25(31)24(21)30)12-6-11-26(2)3/h7-10,13-14,22,28-29H,6,11-12H2,1-5H3/b23-21+InChIKey
YZACNDCSSCGYCI-XTQSDGFTSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)5(4HYDROXY3METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)CCC(NH+)(C)C)(O)
InChI=1SC25H30N2O6c1151317(324)8918(15)23(29)2122(1671019(28)20(1416)335)27(25(31)24(21)30)1261126(2)3h7101314222829H61112H215H3b2321+
MFCD18244592
ZINC000102529511
ZINC000102529526
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.