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-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL047163
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccs1
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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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-18-20(17-27-30(18)19-7-3-2-4-8-19)24(31)22-23(21-9-5-16-35-21)29(26(33)25(22)32)11-6-10-28-12-14-34-15-13-28/h2-5,7-9,16-17,23,31H,6,10-15H2,1H3/b24-22+InChIKey
KBIFUXCUDNPLRI-ZNTNEXAZSA-NSynonyms
(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)5(2THIENYL)3PYRROLIN2ONE
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC=CS5)(O)
InChI=1SC26H28N4O4Sc11820(172730(18)197324819)24(31)2223(2195163521)29(26(33)25(22)32)1161028121434151328h257916172331H61015H21H3b2422+
MFCD18249008
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1cccs1
ZINC000102882315
ZINC000102882316
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