Vitas-M small molecule compound
(2Z)-3-[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
Catalog ID
STK706623
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C(\C(=O)NCCCn1cncc1)/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 C29H29ClN6O2 MW 529.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN6O2/c1-2-3-16-38-27-11-10-22(18-26(27)30)28-24(20-36(34-28)25-8-5-4-6-9-25)17-23(19-31)29(37)33-12-7-14-35-15-13-32-21-35/h4-6,8-11,13,15,17-18,20-21H,2-3,7,12,14,16H2,1H3,(H,33,37)/b23-17-InChIKey
QHTHGZXZKUIGGT-QJOMJCCJSA-NSynonyms
(2Z)3(3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)2cyanoN(3(1Himidazol1yl)propyl)prop2enamide
(E)N(3(1Himidazol1yl)propyl)3(3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)2cyanoacrylamide
(Z)3(3(4butoxy3chlorophenyl)1phenylpyrazol4yl)2cyanoN(3imidazol1ylpropyl)prop2enamide
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C(C(=O)NCCCn1cncc1)C#N)c1ccccc1
InChI=1SC29H29ClN6O2c123163827111022(1826(27)30)2824(2036(3428)258546925)1723(1931)29(37)3312714351513322135h46811131517182021H237121416H21H3(H3337)b2317
MFCD13371142
ZINC000026779579
ZINC26779579
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