Vitas-M small molecule compound
(2E)-3-(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Catalog ID
STK810515
SMILES C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)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 C29H23ClN4O2 MW 494.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN4O2/c1-2-16-32-29(35)23(18-31)17-24-19-34(25-9-4-3-5-10-25)33-28(24)21-12-14-26(15-13-21)36-20-22-8-6-7-11-27(22)30/h2-15,17,19H,1,16,20H2,(H,32,35)/b23-17+InChIKey
BUXCGBZAEJZHAB-HAVVHWLPSA-NSynonyms
(2E)3(3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(prop2en1yl)prop2enamide
(E)3(3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)2CYANONPROP2ENYLPROP2ENAMIDE
C=CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)C4=CC=CC=C4)C#N
C=CCNC(=O)C(=Cc1cn(nc1c1ccc(cc1)OCc1ccccc1Cl)c1ccccc1)C#N
InChI=1SC29H23ClN4O2c12163229(35)23(1831)17241934(2594351025)3328(24)21121426(151321)3620228671127(22)30h2151719H11620H2(H3235)b2317+
MFCD04600044
ZINC000002672716
ZINC02672716
ZINC2672716
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