Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK565841
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[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 C23H25ClN2O4 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O4/c1-14-13-16(7-10-18(14)30-4)21(27)19-20(15-5-8-17(24)9-6-15)26(12-11-25(2)3)23(29)22(19)28/h5-10,13,20,27H,11-12H2,1-4H3/b21-19+InChIKey
BPUNXADZRYOOPS-XUTLUUPISA-NSynonyms
500196-46-3(4E)5(4chlorophenyl)1(2(dimethylamino)ethyl)4(hydroxy(4methoxy3methylphenyl)methylidene)pyrrolidine23dione
(4E)5(4CHLOROPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
500196463
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Cl)O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)(C)C)(O)
InChI=1SC23H25ClN2O4c1141316(71018(14)304)21(27)1920(155817(24)9615)26(121125(2)3)23(29)22(19)28h510132027H1112H214H3b2119+
MFCD18244881
ZINC000102537748
ZINC000102537754
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.