Vitas-M small molecule compound
(E)-{2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK565782
SMILES CCOc1ccc(cc1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[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 C29H32N4O5 MW 516.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O5/c1-3-38-23-11-9-21(10-12-23)26-25(28(35)29(36)32(26)14-13-31-15-17-37-18-16-31)27(34)24-19-30-33(20(24)2)22-7-5-4-6-8-22/h4-12,19,26,34H,3,13-18H2,1-2H3/b27-25+InChIKey
QWVNDELAXBMOEZ-IMVLJIQESA-NSynonyms
955862-47-2(4E)5(4ETHOXYPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(4ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(4ETHOXYPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
955862472
CCOC1=CC=C(C=C1)C2C(=C(C3=C(N(N=C3)C4=CC=CC=C4)C)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5
CCOc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC29H32N4O5c13382311921(101223)2625(28(35)29(36)32(26)141331151737181631)27(34)24193033(20(24)2)227546822h412192634H31318H212H3b2725+
MFCD18244871
ZINC000009070664
ZINC000009241180
Check stock
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Check stock on Vitas-MAvailable files
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