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-4-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149115
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccncc1
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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)21-6-3-2-4-7-21)25(33)23-24(20-8-10-28-11-9-20)31(27(35)26(23)34)13-5-12-30-14-16-36-17-15-30/h2-4,6-11,18,24,33H,5,12-17H2,1H3/b25-23+InChIKey
HZRABRXSHGWMKL-WJTDDFOZSA-NSynonyms
908229-33-4(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)5(4PYRIDYL)3PYRROLIN2ONE
908229334
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=NC=C5)O
InChI=1SC27H29N5O4c11922(182932(19)216324721)25(33)2324(208102811920)31(27(35)26(23)34)1351230141636171530h24611182433H51217H21H3b2523+
MFCD20755535
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccncc1
ZINC000102928740
ZINC000102928742
Check stock
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Check stock on Vitas-MAvailable files
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