Vitas-M small molecule compound

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

Catalog ID
STK881047
SMILES CCCSc1ccc(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 C28H23N5S MW 461.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N5S/c1-2-16-34-24-14-12-20(13-15-24)27-22(19-33(32-27)23-8-4-3-5-9-23)17-21(18-29)28-30-25-10-6-7-11-26(25)31-28/h3-15,17,19H,2,16H2,1H3,(H,30,31)/b21-17-
InChIKey
VNLDIWSKDGBGLG-FXBPSFAMSA-N
Synonyms
1008877-82-4
(2Z)2(1Hbenzimidazol2yl)3(1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(1phenyl3(4propylsulfanylphenyl)pyrazol4yl)prop2enenitrile
(Z)2(1Hbenzo(d)imidazol2yl)3(1phenyl3(4(propylthio)phenyl)1Hpyrazol4yl)acrylonitrile
1008877824
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
CCCSc1ccc(cc1)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC28H23N5Sc12163424141220(131524)2722(1933(3227)238435923)1721(1829)28302510671126(25)3128h3151719H216H21H3(H3031)b2117
MFCD03686374
ZINC000009461128
ZINC09461128
ZINC9461128

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Available files

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