Vitas-M small molecule compound

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

Catalog ID
STK881253
SMILES CCCCSc1ccc(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 C29H25N5S MW 475.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5S/c1-2-3-17-35-25-15-13-21(14-16-25)28-23(20-34(33-28)24-9-5-4-6-10-24)18-22(19-30)29-31-26-11-7-8-12-27(26)32-29/h4-16,18,20H,2-3,17H2,1H3,(H,31,32)/b22-18-
InChIKey
DSNBWTOCRQOTTB-PYCFMQQDSA-N
Synonyms
1009435-39-5
(2Z)2(1Hbenzimidazol2yl)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(3(4butylsulfanylphenyl)1phenylpyrazol4yl)prop2enenitrile
(Z)2(1Hbenzo(d)imidazol2yl)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
1009435395
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
CCCCSc1ccc(cc1)c1nn(cc1C=C(c1nc2c((nH)1)cccc2)C#N)c1ccccc1
InChI=1SC29H25N5Sc123173525151321(141625)2823(2034(3328)2495461024)1822(1930)29312611781227(26)3229h4161820H2317H21H3(H3132)b2218
MFCD03694682
ZINC000009508041
ZINC09508041
ZINC9508041

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Available files

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