Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide
Catalog ID
STK810724
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NC1CCCCC1)/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 C29H32N4O2 MW 468.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2/c1-2-3-18-35-27-16-14-22(15-17-27)28-24(21-33(32-28)26-12-8-5-9-13-26)19-23(20-30)29(34)31-25-10-6-4-7-11-25/h5,8-9,12-17,19,21,25H,2-4,6-7,10-11,18H2,1H3,(H,31,34)/b23-19-InChIKey
QTTKNDDYZIJTLD-NMWGTECJSA-NSynonyms
(2Z)3(3(4butoxyphenyl)1phenyl1Hpyrazol4yl)2cyanoNcyclohexylprop2enamide
(Z)3(3(4butoxyphenyl)1phenylpyrazol4yl)2cyanoNcyclohexylprop2enamide
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C(C(=O)NC1CCCCC1)C#N)c1ccccc1
InChI=1SC29H32N4O2c123183527161422(151727)2824(2133(3228)26128591326)1923(2030)29(34)3125106471125h5891217192125H2467101118H21H3(H3134)b2319
MFCD04571803
ZINC000016701241
ZINC16701241
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