Vitas-M small molecule compound
(2Z)-2-[(4-methylphenyl)sulfonyl]-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK810738
SMILES CCCOc1ccc(c(c1)C)c1nn(cc1/C=C(\S(=O)(=O)c1ccc(cc1)C)/C#N)c1ccccc1
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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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-4-16-35-25-12-15-28(22(3)17-25)29-23(20-32(31-29)24-8-6-5-7-9-24)18-27(19-30)36(33,34)26-13-10-21(2)11-14-26/h5-15,17-18,20H,4,16H2,1-3H3/b27-18-InChIKey
WHKISJCDRBBMJS-IMRQLAEWSA-NSynonyms
(2Z)2((4methylphenyl)sulfonyl)3(3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(Z)2(4METHYLPHENYL)SULFONYL3(3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C(S(=O)(=O)c1ccc(cc1)C)C#N)c1ccccc1
InChI=1SC29H27N3O3Sc14163525121528(22(3)1725)2923(2032(3129)248657924)1827(1930)36(3334)26131021(2)111426h515171820H416H213H3b2718
MFCD03952290
ZINC000028467571
ZINC28467571
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