Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK516718
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)CC)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 C27H20N4O2S2 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O2S2/c1-2-35(32,33)23-14-12-19(13-15-23)26-21(18-31(30-26)22-8-4-3-5-9-22)16-20(17-28)27-29-24-10-6-7-11-25(24)34-27/h3-16,18H,2H2,1H3/b20-16-InChIKey
MPEMADMVOAHQHK-SILNSSARSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(3(4(ethylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazol2yl)3(3(4ethylsulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
CCS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
InChI=1SC27H20N4O2S2c1235(3233)23141219(131523)2621(1831(3026)228435922)1620(1728)27292410671125(24)3427h31618H2H21H3b2016
MFCD06645791
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)c1nc2c(s1)cccc2
ZINC000009223196
ZINC09223196
ZINC9223196
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