Vitas-M small molecule compound
(2E)-3-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Catalog ID
STK468364
SMILES N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Cl)/C(=O)NC(CC(C)(C)C)(C)C
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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 C21H25ClN4O MW 384.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4O/c1-20(2,3)13-21(4,5)25-19(27)15(11-23)10-16-12-24-26-18(16)14-6-8-17(22)9-7-14/h6-10,12H,13H2,1-5H3,(H,24,26)(H,25,27)/b15-10+InChIKey
NBDFSSGZRHAEHN-XNTDXEJSSA-NSynonyms
(2E)3(3(4chlorophenyl)1Hpyrazol4yl)2cyanoN(244trimethylpentan2yl)prop2enamide
(E)3(5(4chlorophenyl)1Hpyrazol4yl)2cyanoN(244trimethylpentan2yl)prop2enamide
CC(C)(C)CC(C)(C)NC(=O)C(=CC1=C(NN=C1)C2=CC=C(C=C2)Cl)C#N
InChI=1SC21H25ClN4Oc120(23)1321(45)2519(27)15(1123)101612242618(16)146817(22)9714h61012H13H215H3(H2426)(H2527)b1510+
MFCD07056589
N#CC(=Cc1c(nH)nc1c1ccc(cc1)Cl)C(=O)NC(CC(C)(C)C)(C)C
ZINC000017078630
ZINC17078630
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