Vitas-M small molecule compound
(2Z)-2-cyano-N-cyclohexyl-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK810634
SMILES CCCOc1ccc(c(c1)C)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/c1-3-16-35-26-14-15-27(21(2)17-26)28-23(20-33(32-28)25-12-8-5-9-13-25)18-22(19-30)29(34)31-24-10-6-4-7-11-24/h5,8-9,12-15,17-18,20,24H,3-4,6-7,10-11,16H2,1-2H3,(H,31,34)/b22-18-InChIKey
AQVVAYNHFVSPHX-PYCFMQQDSA-NSynonyms
(2Z)2cyanoNcyclohexyl3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(Z)2cyanoNcyclohexyl3(3(2methyl4propoxyphenyl)1phenylpyrazol4yl)prop2enamide
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C(C(=O)NC1CCCCC1)C#N)c1ccccc1
InChI=1SC29H32N4O2c13163526141527(21(2)1726)2823(2033(3228)25128591325)1822(1930)29(34)3124106471124h589121517182024H3467101116H212H3(H3134)b2218
MFCD04588162
ZINC000016701183
ZINC16701183
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