Vitas-M small molecule compound
(E)-{2-(2,5-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL043792
SMILES COc1ccc(cc1C1N(CCC[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 C30H34N4O6 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O6/c1-20-24(19-31-34(20)21-8-5-4-6-9-21)28(35)26-27(23-18-22(38-2)10-11-25(23)39-3)33(30(37)29(26)36)13-7-12-32-14-16-40-17-15-32/h4-6,8-11,18-19,27,35H,7,12-17H2,1-3H3/b28-26+InChIKey
HJAFPXTZMCWKLH-BYCLXTJYSA-NSynonyms
955867-86-4(4E)5(25DIMETHOXYPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(25DIMETHOXYPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
955867864
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=C(C=CC(=C5)OC)OC)(O)
COc1ccc(cc1C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O))OC
InChI=1SC30H34N4O6c12024(193134(20)218546921)28(35)2627(231822(382)101125(23)393)33(30(37)29(26)36)1371232141640171532h4681118192735H71217H213H3b2826+
MFCD18248289
ZINC000102874320
ZINC000102874323
Check stock
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Check stock on Vitas-MAvailable files
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