Vitas-M small molecule compound
(2Z)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STL343847
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)/c1nc2c([nH]1)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/c32-21-24(31-33-28-15-6-7-16-29(28)34-31)19-25-22-37(26-12-4-3-5-13-26)35-30(25)23-11-10-14-27(20-23)40(38,39)36-17-8-1-2-9-18-36/h3-7,10-16,19-20,22H,1-2,8-9,17-18H2,(H,33,34)/b24-19-InChIKey
BCNNSHBZGPKISF-CLCOLTQESA-NSynonyms
1009441-31-9(2Z)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(1Hbenzimidazol2yl)prop2enenitrile
(Z)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(1Hbenzo(d)imidazol2yl)acrylonitrile
(Z)3(3(3(azepan1ylsulfonyl)phenyl)1phenylpyrazol4yl)2(1Hbenzimidazol2yl)prop2enenitrile
1009441319
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC31H28N6O2Sc322124(31332815671629(28)3431)19252237(26124351326)3530(25)2311101427(2023)40(3839)361781291836h371016192022H12891718H2(H3334)b2419
MFCD04170466
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)c1nc2c((nH)1)cccc2
ZINC000101066070
ZINC101066070
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