Vitas-M small molecule compound
(2Z)-2-cyano-N-(4-methylphenyl)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK810741
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\C(=O)Nc1ccc(cc1)C)/C#N)c1ccccc1
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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 C30H28N4O2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O2/c1-4-16-36-27-14-15-28(22(3)17-27)29-24(20-34(33-29)26-8-6-5-7-9-26)18-23(19-31)30(35)32-25-12-10-21(2)11-13-25/h5-15,17-18,20H,4,16H2,1-3H3,(H,32,35)/b23-18-InChIKey
NPFKYMBSNOMZCA-NKFKGCMQSA-NSynonyms
(2Z)2cyanoN(4methylphenyl)3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2CYANON(4METHYLPHENYL)3(3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC=C(C=C3)C)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)Nc1ccc(cc1)C)C#N)c1ccccc1
InChI=1SC30H28N4O2c14163627141528(22(3)1727)2924(2034(3329)268657926)1823(1931)30(35)3225121021(2)111325h515171820H416H213H3(H3235)b2318
MFCD03958991
ZINC000028467575
ZINC28467575
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