Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL047184
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1ccc(cc1)C(=O)OC)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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-5-28(6-2)15-8-16-29-23(18-11-13-19(14-12-18)27(33)35-4)22(25(31)26(29)32)24(30)20-9-7-10-21(17-20)34-3/h7,9-14,17,23,30H,5-6,8,15-16H2,1-4H3/b24-22+InChIKey
YVEMTHNLQHWHRK-ZNTNEXAZSA-NSynonyms
609325-07-7(E)(1(3(diethylammonio)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
609325077
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2cccc(c2)OC)(O))C1c1ccc(cc1)C(=O)OC)CC
CCN(CC)CCCN1C(C(=C(C2=CC(=CC=C2)OC)O)C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC
InChI=1SC27H32N2O6c1528(62)158162923(18111319(141218)27(33)354)22(25(31)26(29)32)24(30)20971021(1720)343h7914172330H5681516H214H3b2422+
METHYL4((3E)1(3(DIETHYLAMINO)PROPYL)3(HYDROXY(3METHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4((3Z)1(3(DIETHYLAMINO)PROPYL)3(HYDROXY(3METHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(1(3(DIETHYLAMINO)PROPYL)4HYDROXY3((3METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD18249014
ZINC000008900318
ZINC000102881864
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