Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Catalog ID
STK810714
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\C(=O)NCC1CCCO1)/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 C29H32N4O3 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3/c1-3-4-14-35-25-12-13-27(21(2)16-25)28-23(20-33(32-28)24-9-6-5-7-10-24)17-22(18-30)29(34)31-19-26-11-8-15-36-26/h5-7,9-10,12-13,16-17,20,26H,3-4,8,11,14-15,19H2,1-2H3,(H,31,34)/b22-17-InChIKey
ZKCNNZABIFVMRI-XLNRJJMWSA-NSynonyms
(2Z)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2cyanoN(tetrahydrofuran2ylmethyl)prop2enamide
(Z)3(3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NCC1CCCO1)C#N)c1ccccc1
InChI=1SC29H32N4O3c134143525121327(21(2)1625)2823(2033(3228)2496571024)1722(1830)29(34)311926118153626h57910121316172026H34811141519H212H3(H3134)b2217
MFCD03952291
ZINC000028467559
ZINC000028467563
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