Vitas-M small molecule compound
(2E)-3-{3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-cyclohexylprop-2-enamide
Catalog ID
STK823893
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OCc1ccccc1)c1ccccc1)/C(=O)NC1CCCCC1
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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 C32H30N4O2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O2/c33-21-26(32(37)34-28-12-6-2-7-13-28)20-27-22-36(29-14-8-3-9-15-29)35-31(27)25-16-18-30(19-17-25)38-23-24-10-4-1-5-11-24/h1,3-5,8-11,14-20,22,28H,2,6-7,12-13,23H2,(H,34,37)/b26-20+InChIKey
IMXUBXAGMOXSAO-LHLOQNFPSA-NSynonyms
(2E)3(3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)2cyanoNcyclohexylprop2enamide
(E)2CYANONCYCLOHEXYL3(1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)PROP2ENAMIDE
C1CCC(CC1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)C#N
InChI=1SC32H30N4O2c332126(32(37)3428126271328)20272236(29148391529)3531(27)25161830(191725)382324104151124h13581114202228H267121323H2(H3437)b2620+
MFCD18075757
N#CC(=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1)c1ccccc1)C(=O)NC1CCCCC1
ZINC000027021243
ZINC27021243
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