Vitas-M small molecule compound
(2E)-2-(morpholin-4-ylcarbonyl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK904399
SMILES N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)/C(=O)N1CCOCC1
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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 C27H27N5O5S MW 533.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O5S/c28-19-22(27(33)30-9-13-36-14-10-30)17-23-20-32(24-6-2-1-3-7-24)29-26(23)21-5-4-8-25(18-21)38(34,35)31-11-15-37-16-12-31/h1-8,17-18,20H,9-16H2/b22-17+InChIKey
BHWZFSTUWFHTTL-OQKWZONESA-NSynonyms
(2E)2(morpholin4ylcarbonyl)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(MORPHOLINE4CARBONYL)3(3(3MORPHOLIN4YLSULFONYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
(Z)2(morpholine4carbonyl)3(3(3(morpholinosulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
C1COCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C#N
InChI=1SC27H27N5O5Sc281922(27(33)3091336141030)17232032(246213724)2926(23)2154825(1821)38(3435)31111537161231h18171820H916H2b2217+
MFCD18076063
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)C(=O)N1CCOCC1
ZINC000002412818
ZINC2412818
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