Vitas-M small molecule compound
(2Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK706431
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=C(\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 C28H22N4OS MW 462.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4OS/c1-2-16-33-24-14-12-20(13-15-24)27-22(19-32(31-27)23-8-4-3-5-9-23)17-21(18-29)28-30-25-10-6-7-11-26(25)34-28/h3-15,17,19H,2,16H2,1H3/b21-17-InChIKey
BMYLDEGQTIAJBB-FXBPSFAMSA-NSynonyms
(2Z)2(13benzothiazol2yl)3(1phenyl3(4propoxyphenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(benzo(d)thiazol2yl)3(1phenyl3(4propoxyphenyl)1Hpyrazol4yl)acrylonitrile
(Z)2(13benzothiazol2yl)3(1phenyl3(4propoxyphenyl)pyrazol4yl)prop2enenitrile
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC28H22N4OSc12163324141220(131524)2722(1932(3127)238435923)1721(1829)28302510671126(25)3428h3151719H216H21H3b2117
MFCD03212335
ZINC000027017166
ZINC27017166
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