Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK904790
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)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 C29H24N6O3S MW 536.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N6O3S/c30-19-22(29-31-26-11-4-5-12-27(26)32-29)17-23-20-35(24-8-2-1-3-9-24)33-28(23)21-7-6-10-25(18-21)39(36,37)34-13-15-38-16-14-34/h1-12,17-18,20H,13-16H2,(H,31,32)/b22-17-InChIKey
NLGOLPABHFIGCP-XLNRJJMWSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(1Hbenzo(d)imidazol2yl)3(3(3(morpholinosulfonyl)phenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(1Hbenzimidazol2yl)3(3(3morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)prop2enenitrile
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC29H24N6O3Sc301922(29312611451227(26)3229)17232035(248213924)3328(23)21761025(1821)39(3637)34131538161434h112171820H1316H2(H3132)b2217
MFCD18076165
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2c((nH)1)cccc2
ZINC000097947342
ZINC97947342
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