Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-ylcarbonyl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK881566
SMILES CCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)c1nc2c(s1)cccc2)/C#N)c1ccccc1
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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 C28H20N4OS2 MW 492.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4OS2/c1-2-34-23-14-12-19(13-15-23)26-21(18-32(31-26)22-8-4-3-5-9-22)16-20(17-29)27(33)28-30-24-10-6-7-11-25(24)35-28/h3-16,18H,2H2,1H3/b20-16-InChIKey
YSGWITHEWNRTSW-SILNSSARSA-NSynonyms
(2Z)2(13benzothiazol2ylcarbonyl)3(3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(13benzothiazole2carbonyl)3(3(4ethylsulfanylphenyl)1phenylpyrazol4yl)prop2enenitrile
CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
CCSc1ccc(cc1)c1nn(cc1C=C(C(=O)c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC28H20N4OS2c123423141219(131523)2621(1832(3126)228435922)1620(1729)27(33)28302410671125(24)3528h31618H2H21H3b2016
MFCD18075906
ZINC000026779663
ZINC26779663
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