Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514857
SMILES CCCCCN1C(=O)/C(=C\c2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)/C(=C(C1=O)C#N)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 C29H27FN4O2 MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN4O2/c1-4-5-9-14-33-28(35)24(20(3)25(17-31)29(33)36)15-22-18-34(23-10-7-6-8-11-23)32-27(22)21-13-12-19(2)26(30)16-21/h6-8,10-13,15-16,18H,4-5,9,14H2,1-3H3/b24-15-InChIKey
HBYRAEQWFFESCQ-IWIPYMOSSA-NSynonyms
(5Z)5((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4methyl26dioxo1pentyl1256tetrahydropyridine3carbonitrile
(5Z)5((3(3fluoro4methylphenyl)1phenylpyrazol4yl)methylidene)4methyl26dioxo1pentylpyridine3carbonitrile
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)C(=C(C1=O)C#N)C
CCCCCN1C(=O)C(=Cc2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC29H27FN4O2c1459143328(35)24(20(3)25(1731)29(33)36)15221834(23107681123)3227(22)21131219(2)26(30)1621h681013151618H45914H213H3b2415
MFCD06645020
ZINC000016741532
ZINC16741532
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