Vitas-M small molecule compound
(2Z)-2-(1-methyl-1H-benzimidazol-2-yl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK904789
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)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 C30H26N6O3S MW 550.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N6O3S/c1-34-28-13-6-5-12-27(28)32-30(34)23(20-31)18-24-21-36(25-9-3-2-4-10-25)33-29(24)22-8-7-11-26(19-22)40(37,38)35-14-16-39-17-15-35/h2-13,18-19,21H,14-17H2,1H3/b23-18-InChIKey
KWZWIBXAAVQZSG-NKFKGCMQSA-NSynonyms
(2Z)2(1methyl1Hbenzimidazol2yl)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(1methyl1Hbenzo(d)imidazol2yl)3(3(3(morpholinosulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(1methylbenzimidazol2yl)3(3(3morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C6=CC=CC=C6)C#N
InChI=1SC30H26N6O3Sc1342813651227(28)3230(34)23(2031)18242136(2593241025)3329(24)22871126(1922)40(3738)35141639171535h213181921H1417H21H3b2318
MFCD05735116
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000097947341
ZINC97947341
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