Vitas-M small molecule compound
(2E)-3-(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-(piperidin-1-ylcarbonyl)prop-2-enenitrile
Catalog ID
STK823834
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)/C(=O)N1CCCCC1
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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 C31H27ClN4O2 MW 523.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O2/c32-29-12-6-5-9-24(29)22-38-28-15-13-23(14-16-28)30-26(21-36(34-30)27-10-3-1-4-11-27)19-25(20-33)31(37)35-17-7-2-8-18-35/h1,3-6,9-16,19,21H,2,7-8,17-18,22H2/b25-19+InChIKey
KLXIZHGSUHWWJY-NCELDCMTSA-NSynonyms
(2E)3(3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2(piperidin1ylcarbonyl)prop2enenitrile
(E)3(3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)2(PIPERIDINE1CARBONYL)PROP2ENENITRILE
C1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)C#N
InChI=1SC31H27ClN4O2c32291265924(29)223828151323(141628)3026(2136(3430)27103141127)1925(2033)31(37)35177281835h1369161921H278171822H2b2519+
MFCD18075720
N#CC(=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)C(=O)N1CCCCC1
ZINC000027021181
ZINC27021181
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