Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK565502
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(C)(C)C
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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 C32H38N4O4 MW 542.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O4/c1-22-26(21-33-36(22)25-9-6-5-7-10-25)29(37)27-28(23-11-13-24(14-12-23)32(2,3)4)35(31(39)30(27)38)16-8-15-34-17-19-40-20-18-34/h5-7,9-14,21,28,37H,8,15-20H2,1-4H3/b29-27+InChIKey
UAKWUTWHUAECJS-ORIPQNMZSA-NSynonyms
955877-44-8(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(4(TERTBUTYL)PHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
955877448
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)O
InChI=1SC32H38N4O4c12226(213336(22)2596571025)29(37)2728(23111324(141223)32(23)4)35(31(39)30(27)38)1681534171940201834h57914212837H81520H214H3b2927+
MFCD18244805
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000102535369
ZINC000102535379
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