Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK706969
SMILES CCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c([nH]1)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 C27H21N5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5S/c1-2-33-23-14-12-19(13-15-23)26-21(18-32(31-26)22-8-4-3-5-9-22)16-20(17-28)27-29-24-10-6-7-11-25(24)30-27/h3-16,18H,2H2,1H3,(H,29,30)/b20-16-InChIKey
OYZQACRBKAXTBY-SILNSSARSA-NSynonyms
1008877-58-4(2Z)2(1Hbenzimidazol2yl)3(3(4(ethylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(4ethylsulfanylphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzo(d)imidazol2yl)3(3(4(ethylthio)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
1008877584
CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
CCSc1ccc(cc1)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC27H21N5Sc123323141219(131523)2621(1832(3126)228435922)1620(1728)27292410671125(24)3027h31618H2H21H3(H2930)b2016
MFCD03686164
ZINC000008740626
ZINC08740626
ZINC8740626
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