Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK564828
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CCC[NH+](CC)CC)/[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 C28H33ClN2O6 MW 529.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33ClN2O6/c1-5-30(6-2)15-8-16-31-24(18-9-11-19(12-10-18)28(35)36-4)23(26(33)27(31)34)25(32)20-13-14-22(37-7-3)21(29)17-20/h9-14,17,24,32H,5-8,15-16H2,1-4H3/b25-23+InChIKey
SNKOUPBOEIENBV-WJTDDFOZSA-NSynonyms
636988-70-0(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
636988700
CCN(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)O)C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CCC(NH+)(CC)CC)(O)
InChI=1SC28H33ClN2O6c1530(62)158163124(1891119(121018)28(35)364)23(26(33)27(31)34)25(32)20131422(3773)21(29)1720h914172432H581516H214H3b2523+
METHYL4((3E)3((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(3(DIETHYLAMINO)PROPYL)3((3CHLORO4ETHOXYPHENYL)CARBONYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD18244628
ZINC000009065272
ZINC000009178788
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