Vitas-M small molecule compound

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

Catalog ID
STK706712
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c(n1C)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 C30H27N5S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5S/c1-3-4-18-36-26-16-14-22(15-17-26)29-24(21-35(33-29)25-10-6-5-7-11-25)19-23(20-31)30-32-27-12-8-9-13-28(27)34(30)2/h5-17,19,21H,3-4,18H2,1-2H3/b23-19-
InChIKey
IHNYQRYEHFCCCX-NMWGTECJSA-N
Synonyms
1008879-89-7
(2Z)3(3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(Z)3(3(4butylsulfanylphenyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
1008879897
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5
CCCCSc1ccc(cc1)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
InChI=1SC30H27N5Sc134183626161422(151726)2924(2135(3329)25106571125)1923(2031)30322712891328(27)34(30)2h5171921H3418H212H3b2319
MFCD03692921
ZINC000008739487
ZINC08739487
ZINC8739487

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Available files

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