Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STK562567
SMILES COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 C24H27ClN2O4 MW 442.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN2O4/c1-15-14-18(31-4)10-11-19(15)22(28)20-21(16-6-8-17(25)9-7-16)27(24(30)23(20)29)13-5-12-26(2)3/h6-11,14,21,28H,5,12-13H2,1-4H3/b22-20+InChIKey
BAUMEUWZZHOAEJ-LSDHQDQOSA-NSynonyms
384797-27-7(4E)5(4CHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(4CHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
384797277
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)Cl)(O)
COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)(C)C)(O)
InChI=1SC24H27ClN2O4c1151418(314)101119(15)22(28)2021(166817(25)9716)27(24(30)23(20)29)1351226(2)3h611142128H51213H214H3b2220+
MFCD18244070
ZINC000102513550
ZINC000102513561
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.