Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STL040287
SMILES O=C1C(=O)/C(=C(\c2cnn(c2C)c2ccccc2)/[O-])/C(N1CC[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 C31H36N4O4 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O4/c1-21-25(20-32-35(21)24-8-6-5-7-9-24)28(36)26-27(22-10-12-23(13-11-22)31(2,3)4)34(30(38)29(26)37)15-14-33-16-18-39-19-17-33/h5-13,20,27,36H,14-19H2,1-4H3/b28-26+InChIKey
QNLWROADDNLDFL-BYCLXTJYSA-NSynonyms
955877-10-8(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(4(TERTBUTYL)PHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
955877108
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=C(C=C5)C(C)(C)C)O
InChI=1SC31H36N4O4c12125(203235(21)248657924)28(36)2627(22101223(131122)31(23)4)34(30(38)29(26)37)151433161839191733h513202736H1419H214H3b2826+
MFCD18247999
O=C1C(=O)C(=C(c2cnn(c2C)c2ccccc2)(O))C(N1CC(NH+)1CCOCC1)c1ccc(cc1)C(C)(C)C
ZINC000102865633
ZINC000102865640
Check stock
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