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-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565610
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)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 C31H36N4O4 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O4/c1-21(2)23-10-12-24(13-11-23)28-27(29(36)26-20-32-35(22(26)3)25-8-5-4-6-9-25)30(37)31(38)34(28)15-7-14-33-16-18-39-19-17-33/h4-6,8-13,20-21,28,36H,7,14-19H2,1-3H3/b29-27+InChIKey
FMBSNULUKHFHOT-ORIPQNMZSA-NSynonyms
955878-76-9(4E)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(5methyl1phenyl1Hpyrazol4yl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(5METHYL1PHENYLPYRAZOL4YL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY5(4(METHYLETHYL)PHENYL)4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
955878769
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)4CCOCC4)C5=CC=C(C=C5)C(C)C)(O)
InChI=1SC31H36N4O4c121(2)23101224(131123)2827(29(36)26203235(22(26)3)258546925)30(37)31(38)34(28)1571433161839191733h4681320212836H71419H213H3b2927+
MFCD18244835
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)C
ZINC000102536249
ZINC000102536257
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