Vitas-M small molecule compound

(E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL147954
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1cc(OC)ccc1OC)CC

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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 C25H29ClN2O5 MW 472.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O5/c1-5-27(6-2)13-14-28-22(19-15-18(32-3)11-12-20(19)33-4)21(24(30)25(28)31)23(29)16-7-9-17(26)10-8-16/h7-12,15,22,29H,5-6,13-14H2,1-4H3/b23-21+
InChIKey
IOZKCKUQQJVVSF-XTQSDGFTSA-N
Synonyms
614747-87-4
(4E)4((4chlorophenyl)hydroxymethylidene)1(2(diethylamino)ethyl)5(25dimethoxyphenyl)pyrrolidine23dione
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(25DIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(2(diethylammonio)ethyl)2(25dimethoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(25DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)5(25DIMETHOXYPHENYL)4((4CHLOROPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
614747874
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)(O))C1c1cc(OC)ccc1OC)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)Cl)O)C(=O)C1=O)C3=C(C=CC(=C3)OC)OC
InChI=1SC25H29ClN2O5c1527(62)13142822(191518(323)111220(19)334)21(24(30)25(28)31)23(29)167917(26)10816h712152229H561314H214H3b2321+
MFCD20755302
ZINC000008816831
ZINC000008816832

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Available files

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