Vitas-M small molecule compound

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

Catalog ID
STL346328
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCC1)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 C31H28N6O2S MW 548.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N6O2S/c1-35-29-16-7-6-15-28(29)33-31(35)24(21-32)19-25-22-37(26-12-4-2-5-13-26)34-30(25)23-11-10-14-27(20-23)40(38,39)36-17-8-3-9-18-36/h2,4-7,10-16,19-20,22H,3,8-9,17-18H2,1H3/b24-19-
InChIKey
GUDSLLNFEFWKMX-CLCOLTQESA-N
Synonyms
1010868-59-3
(2Z)2(1methyl1Hbenzimidazol2yl)3(1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)prop2enenitrile
(Z)2(1methyl1Hbenzo(d)imidazol2yl)3(1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)acrylonitrile
(Z)2(1methylbenzimidazol2yl)3(1phenyl3(3piperidin1ylsulfonylphenyl)pyrazol4yl)prop2enenitrile
1010868593
CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C6=CC=CC=C6)C#N
InChI=1SC31H28N6O2Sc1352916761528(29)3331(35)24(2132)19252237(26124251326)3430(25)2311101427(2023)40(3839)36178391836h2471016192022H3891718H21H3b2419
MFCD04197631
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000101174832
ZINC101174832

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Available files

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