Vitas-M small molecule compound
(2E)-2-cyano-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-N-(prop-2-en-1-yl)prop-2-enamide
Catalog ID
STK823119
SMILES C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCC=C)c1ccccc1)/C#N
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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 C25H22N4O2 MW 410.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2/c1-3-14-27-25(30)20(17-26)16-21-18-29(22-8-6-5-7-9-22)28-24(21)19-10-12-23(13-11-19)31-15-4-2/h3-13,16,18H,1-2,14-15H2,(H,27,30)/b20-16+InChIKey
XYRQSOILQDQDLO-CAPFRKAQSA-NSynonyms
(2E)2cyano3(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)N(prop2en1yl)prop2enamide
(E)2cyano3(1phenyl3(4prop2enoxyphenyl)pyrazol4yl)Nprop2enylprop2enamide
C=CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC=C)C3=CC=CC=C3)C#N
C=CCNC(=O)C(=Cc1cn(nc1c1ccc(cc1)OCC=C)c1ccccc1)C#N
InChI=1SC25H22N4O2c13142725(30)20(1726)16211829(228657922)2824(21)19101223(131119)311542h3131618H121415H2(H2730)b2016+
MFCD03463662
ZINC000027018548
ZINC27018548
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