Vitas-M small molecule compound
(E)-{2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK561696
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccccc1F
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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 C27H27FN4O4 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O4/c1-18-21(17-29-32(18)19-7-3-2-4-8-19)25(33)23-24(20-9-5-6-10-22(20)28)31(27(35)26(23)34)12-11-30-13-15-36-16-14-30/h2-10,17,24,33H,11-16H2,1H3/b25-23+InChIKey
UOELWQRNOCMLDE-WJTDDFOZSA-NSynonyms
(4E)5(2FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)5(2FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(2FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(2FLUOROPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=CC=C5F)(O)
InChI=1SC27H27FN4O4c11821(172932(18)197324819)25(33)2324(209561022(20)28)31(27(35)26(23)34)121130131536161430h210172433H1116H21H3b2523+
MFCD18243865
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1ccccc1F
ZINC000102506250
ZINC000102506258
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