Vitas-M small molecule compound
(2Z)-2-cyano-3-(3-{3-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-[3-(1H-imidazol-1-yl)propyl]prop-2-enamide
Catalog ID
STK707292
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)OCc1ccccc1F)c1ccccc1)/C(=O)NCCCn1cncc1
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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 C32H27FN6O2 MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27FN6O2/c33-30-13-5-4-8-25(30)22-41-29-12-6-9-24(19-29)31-27(21-39(37-31)28-10-2-1-3-11-28)18-26(20-34)32(40)36-14-7-16-38-17-15-35-23-38/h1-6,8-13,15,17-19,21,23H,7,14,16,22H2,(H,36,40)/b26-18-InChIKey
XIMLKWQHXLKGEF-ITYLOYPMSA-NSynonyms
1008905-86-9(2Z)2cyano3(3(3((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)N(3(1Himidazol1yl)propyl)prop2enamide
(Z)2cyano3(3(3((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)N(3imidazol1ylpropyl)prop2enamide
(Z)N(3(1Himidazol1yl)propyl)2cyano3(3(3((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)acrylamide
1008905869
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4F)C=C(C#N)C(=O)NCCCN5C=CN=C5
InChI=1SC32H27FN6O2c33301354825(30)224129126924(1929)3127(2139(3731)28102131128)1826(2034)32(40)3614716381715352338h168131517192123H7141622H2(H3640)b2618
MFCD04187446
N#CC(=Cc1cn(nc1c1cccc(c1)OCc1ccccc1F)c1ccccc1)C(=O)NCCCn1cncc1
ZINC000101154918
ZINC101154918
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