Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK810716
SMILES N#C/C(=C/c1cn(nc1c1ccc(c(c1)C)OC)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 C27H20N4OS MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4OS/c1-18-14-19(12-13-24(18)32-2)26-21(17-31(30-26)22-8-4-3-5-9-22)15-20(16-28)27-29-23-10-6-7-11-25(23)33-27/h3-15,17H,1-2H3/b20-15-InChIKey
ILVTXMUBLJNVSZ-HKWRFOASSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4methoxy3methylphenyl)1phenylpyrazol4yl)prop2enenitrile
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC
InChI=1SC27H20N4OSc1181419(121324(18)322)2621(1731(3026)228435922)1520(1628)27292310671125(23)3327h31517H12H3b2015
MFCD04492536
N#CC(=Cc1cn(nc1c1ccc(c(c1)C)OC)c1ccccc1)c1nc2c(s1)cccc2
ZINC000016701236
ZINC16701236
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