Vitas-M small molecule compound
(2Z)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylpiperidin-1-yl)carbonyl]prop-2-enenitrile
Catalog ID
STK822298
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C(\C(=O)N1CCC(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 C27H28N4O2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2/c1-3-33-25-11-9-21(10-12-25)26-23(19-31(29-26)24-7-5-4-6-8-24)17-22(18-28)27(32)30-15-13-20(2)14-16-30/h4-12,17,19-20H,3,13-16H2,1-2H3/b22-17-InChIKey
UKVVUICWLMQPFB-XLNRJJMWSA-NSynonyms
(2Z)3(3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)2((4methylpiperidin1yl)carbonyl)prop2enenitrile
(Z)3(3(4ethoxyphenyl)1phenylpyrazol4yl)2(4methylpiperidine1carbonyl)prop2enenitrile
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCC(CC3)C)C4=CC=CC=C4
CCOc1ccc(cc1)c1nn(cc1C=C(C(=O)N1CCC(CC1)C)C#N)c1ccccc1
InChI=1SC27H28N4O2c13332511921(101225)2623(1931(2926)247546824)1722(1828)27(32)30151320(2)141630h412171920H31316H212H3b2217
MFCD03463401
ZINC000027016078
ZINC27016078
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