Vitas-M small molecule compound

(2Z)-3-{3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STK516716
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)/c1nc2c(n1C)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 C28H23N5O2S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5O2S/c1-3-36(34,35)24-15-13-20(14-16-24)27-22(19-33(31-27)23-9-5-4-6-10-23)17-21(18-29)28-30-25-11-7-8-12-26(25)32(28)2/h4-17,19H,3H2,1-2H3/b21-17-
InChIKey
XGZOYEAQIWWCLE-FXBPSFAMSA-N
Synonyms

(2Z)3(3(4(ethylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(3(4ethylsulfonylphenyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
CCS(=O)(=O)C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5
InChI=1SC28H23N5O2Sc1336(3435)24151320(141624)2722(1933(3127)2395461023)1721(1829)28302511781226(25)32(28)2h41719H3H212H3b2117
MFCD06645789
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)CC)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000009223323
ZINC09223323
ZINC9223323

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Available files

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