Vitas-M small molecule compound
(2Z)-3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK799821
SMILES N#C/C(=C/c1cn(nc1c1cc2c(o1)cccc2)c1ccccc1)/S(=O)(=O)c1ccc(cc1)C
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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 C27H19N3O3S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O3S/c1-19-11-13-23(14-12-19)34(31,32)24(17-28)15-21-18-30(22-8-3-2-4-9-22)29-27(21)26-16-20-7-5-6-10-25(20)33-26/h2-16,18H,1H3/b24-15-InChIKey
BOVBMFPRMGXYQM-IWIPYMOSSA-NSynonyms
(2Z)3(3(1benzofuran2yl)1phenyl1Hpyrazol4yl)2((4methylphenyl)sulfonyl)prop2enenitrile(Z)3(3(1benzofuran2yl)1phenylpyrazol4yl)2(4methylphenyl)sulfonylprop2enenitrile
CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)C#N
N#CC(=Cc1cn(nc1c1cc2c(o1)cccc2)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
Registry IDs
MFCD04446973ZINC000032697539
ZINC32697539
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