Vitas-M small molecule compound

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

Catalog ID
STK706798
SMILES CCCCOc1cccc(c1)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 C30H27N5O MW 473.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O/c1-3-4-17-36-26-14-10-11-22(19-26)29-24(21-35(33-29)25-12-6-5-7-13-25)18-23(20-31)30-32-27-15-8-9-16-28(27)34(30)2/h5-16,18-19,21H,3-4,17H2,1-2H3/b23-18-
InChIKey
UCYBXJXISSALJG-NKFKGCMQSA-N
Synonyms
1009436-91-2
(2Z)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(Z)3(3(3butoxyphenyl)1phenyl1Hpyrazol4yl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(Z)3(3(3butoxyphenyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
1009436912
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5
CCCCOc1cccc(c1)c1nn(cc1C=C(c1nc2c(n1C)cccc2)C#N)c1ccccc1
InChI=1SC30H27N5Oc13417362614101122(1926)2924(2135(3329)25126571325)1823(2031)30322715891628(27)34(30)2h516181921H3417H212H3b2318
MFCD04011306
ZINC000009454008
ZINC09454008
ZINC9454008

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Available files

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