Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL038353
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C27H33ClN2O4 MW 485.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O4/c1-6-34-22-13-12-20(16-21(22)28)25(31)23-24(19-10-8-18(9-11-19)17(2)3)30(27(33)26(23)32)15-7-14-29(4)5/h8-13,16-17,24,31H,6-7,14-15H2,1-5H3/b25-23+InChIKey
DELVOILYONTXAL-WJTDDFOZSA-NSynonyms
615274-68-5(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
4(3CHLORO4ETHOXYBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4ISOPROPYLPHENYL)15DIHYDRO2HPYRROL2ONE
615274685
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)C)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(C)C)(O)
InChI=1SC27H33ClN2O4c163422131220(1621(22)28)25(31)2324(1910818(91119)17(2)3)30(27(33)26(23)32)1571429(4)5h81316172431H671415H215H3b2523+
MFCD18247606
ZINC000102861424
ZINC000102861427
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