Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate
Catalog ID
STK561618
SMILES C[NH+](CCCN1C(c2ccc(cc2)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 C27H30N4O3 MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O3/c1-18-11-13-20(14-12-18)24-23(26(33)27(34)30(24)16-8-15-29(3)4)25(32)22-17-28-31(19(22)2)21-9-6-5-7-10-21/h5-7,9-14,17,24,32H,8,15-16H2,1-4H3/b25-23+InChIKey
BJKPWGWSYJCALY-WJTDDFOZSA-NSynonyms
955896-54-5(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHYLPHENYL)4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955896545
C(NH+)(CCCN1C(c2ccc(cc2)C)C(=C(c2cnn(c2C)c2ccccc2)(O))C(=O)C1=O)C
CC1=CC=C(C=C1)C2C(=C(C3=C(N(N=C3)C4=CC=CC=C4)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
InChI=1SC27H30N4O3c118111320(141218)2423(26(33)27(34)30(24)1681529(3)4)25(32)22172831(19(22)2)2196571021h57914172432H81516H214H3b2523+
MFCD18243840
ZINC000102505574
ZINC000102505582
Check stock
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Check stock on Vitas-MAvailable files
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