Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK702675
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)/c1nc2c(s1)cccc2
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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 C28H22N4OS MW 462.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4OS/c1-19(2)33-24-14-12-20(13-15-24)27-22(18-32(31-27)23-8-4-3-5-9-23)16-21(17-29)28-30-25-10-6-7-11-26(25)34-28/h3-16,18-19H,1-2H3/b21-16+InChIKey
CETZPNVTSLLJNR-LTGZKZEYSA-NSynonyms
(2E)2(13benzothiazol2yl)3(1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI=1SC28H22N4OSc119(2)3324141220(131524)2722(1832(3127)238435923)1621(1729)28302510671126(25)3428h3161819H12H3b2116+
MFCD02985939
N#CC(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)c1nc2c(s1)cccc2
ZINC000009066458
ZINC09066458
ZINC9066458
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