Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL037316
SMILES COc1ccc(cc1C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-])OC
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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 C29H32N4O6 MW 532.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O6/c1-19-23(18-30-33(19)20-7-5-4-6-8-20)27(34)25-26(22-17-21(37-2)9-10-24(22)38-3)32(29(36)28(25)35)12-11-31-13-15-39-16-14-31/h4-10,17-18,26,34H,11-16H2,1-3H3/b27-25+InChIKey
FAAHUKKLFCPOMQ-IMVLJIQESA-NSynonyms
955865-29-9(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(25DIMETHOXYPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
955865299
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=C(C=CC(=C5)OC)OC)(O)
COc1ccc(cc1C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O))OC
InChI=1SC29H32N4O6c11923(183033(19)207546820)27(34)2526(221721(372)91024(22)383)32(29(36)28(25)35)121131131539161431h41017182634H1116H213H3b2725+
MFCD18247399
ZINC000102858509
ZINC000102858513
Check stock
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Check stock on Vitas-MAvailable files
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