Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL047074
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)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 C25H27ClN2O6 MW 486.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN2O6/c1-5-34-19-11-10-17(14-18(19)26)22(29)20-21(15-6-8-16(9-7-15)25(32)33-4)28(13-12-27(2)3)24(31)23(20)30/h6-11,14,21,29H,5,12-13H2,1-4H3/b22-20+InChIKey
OURRJNBOXGLJCR-LSDHQDQOSA-NSynonyms
636988-80-2(E)(3chloro4ethoxyphenyl)(1(2(dimethylammonio)ethyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
636988802
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)C(=O)OC)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CC(NH+)(C)C)(O)
InChI=1SC25H27ClN2O6c153419111017(1418(19)26)22(29)2021(156816(9715)25(32)334)28(131227(2)3)24(31)23(20)30h611142129H51213H214H3b2220+
methyl4((3E)3((3chloro4ethoxyphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(2(DIMETHYLAMINO)ETHYL)3((3CHLORO4ETHOXYPHENYL)CARBONYL)4HYDROXY5OXO3PYRROLIN2YL)BENZOATE
MFCD18248988
ZINC000102882403
ZINC000102882406
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