Vitas-M small molecule compound
(2E)-N-benzyl-2-cyano-3-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK808863
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)C)c1ccccc1)/C(=O)NCc1ccccc1
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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 C27H22N4O MW 418.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O/c1-20-12-14-22(15-13-20)26-24(19-31(30-26)25-10-6-3-7-11-25)16-23(17-28)27(32)29-18-21-8-4-2-5-9-21/h2-16,19H,18H2,1H3,(H,29,32)/b23-16+InChIKey
TYKMHYMNYAVQKP-XQNSMLJCSA-NSynonyms
(2E)Nbenzyl2cyano3(3(4methylphenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)NBENZYL2CYANO3(3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC27H22N4Oc120121422(151320)2624(1931(3026)25106371125)1623(1728)27(32)2918218425921h21619H18H21H3(H2932)b2316+
MFCD03149078
N#CC(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)C(=O)NCc1ccccc1
ZINC000001449174
ZINC01449174
ZINC1449174
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