Vitas-M small molecule compound
(E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK560436
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccnc1
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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 C27H29N5O4 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O4/c1-19-22(18-29-32(19)21-8-3-2-4-9-21)25(33)23-24(20-7-5-10-28-17-20)31(27(35)26(23)34)12-6-11-30-13-15-36-16-14-30/h2-5,7-10,17-18,24,33H,6,11-16H2,1H3/b25-23+InChIKey
UWSVNRJKYPGBPX-WJTDDFOZSA-NSynonyms
955870-03-8(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
955870038
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CN=CC=C5)(O)
InChI=1SC27H29N5O4c11922(182932(19)218324921)25(33)2324(207510281720)31(27(35)26(23)34)1261130131536161430h2571017182433H61116H21H3b2523+
MFCD18243535
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1cccnc1
ZINC000102495927
ZINC000102495936
Check stock
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Check stock on Vitas-MAvailable files
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