Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK560486
SMILES C[NH+](CCCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)C1=O)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 C30H36N4O3 MW 500.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N4O3/c1-20-24(19-31-34(20)23-11-8-7-9-12-23)27(35)25-26(21-13-15-22(16-14-21)30(2,3)4)33(29(37)28(25)36)18-10-17-32(5)6/h7-9,11-16,19,26,35H,10,17-18H2,1-6H3/b27-25+InChIKey
ZYUCYDPCRSRNMG-IMVLJIQESA-NSynonyms
955888-64-9(4E)5(4TERTBUTYLPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4(TERTBUTYL)PHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955888649
C(NH+)(CCCN1C(c2ccc(cc2)C(C)(C)C)C(=C(c2cnn(c2C)c2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC=C(C=C4)C(C)(C)C)O
InChI=1SC30H36N4O3c12024(193134(20)23118791223)27(35)2526(21131522(161421)30(23)4)33(29(37)28(25)36)18101732(5)6h791116192635H101718H216H3b2725+
MFCD18243550
ZINC000102496422
ZINC000102496431
Check stock
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Check stock on Vitas-MAvailable files
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