Vitas-M small molecule compound
(E)-(5-methyl-1-phenyl-1H-pyrazol-4-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL151151
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)[N+](=O)[O-]
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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 C27H27N5O6 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O6/c1-18-22(17-28-31(18)20-5-3-2-4-6-20)25(33)23-24(19-7-9-21(10-8-19)32(36)37)30(27(35)26(23)34)12-11-29-13-15-38-16-14-29/h2-10,17,24,33H,11-16H2,1H3/b25-23+InChIKey
YUQSCMWVIAWIAI-WJTDDFOZSA-NSynonyms
955870-29-8(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(2(morpholin4ium4yl)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(2MORPHOLIN4IUM4YLETHYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(4NITROPHENYL)3PYRROLIN2ONE
955870298
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC=C(C=C5)(N+)(=O)(O))(O)
InChI=1SC27H27N5O6c11822(172831(18)205324620)25(33)2324(197921(10819)32(36)37)30(27(35)26(23)34)121129131538161429h210172433H1116H21H3b2523+
MFCD20755989
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000102932905
ZINC000102932908
Check stock
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Check stock on Vitas-MAvailable files
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