Vitas-M small molecule compound
(E)-{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK564837
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[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 C28H29FN4O4 MW 504.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN4O4/c1-19-22(18-30-33(19)20-8-3-2-4-9-20)26(34)24-25(21-10-5-6-11-23(21)29)32(28(36)27(24)35)13-7-12-31-14-16-37-17-15-31/h2-6,8-11,18,25,34H,7,12-17H2,1H3/b26-24+InChIKey
BLYLQEOBXFDUPS-SHHOIMCASA-NSynonyms
955863-31-7(4E)5(2FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(2FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(2FLUOROPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
955863317
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CC=C5F)O
InChI=1SC28H29FN4O4c11922(183033(19)208324920)26(34)2425(2110561123(21)29)32(28(36)27(24)35)1371231141637171531h26811182534H71217H21H3b2624+
MFCD18244631
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccccc1F
ZINC000102530720
ZINC000102530730
Check stock
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Check stock on Vitas-MAvailable files
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