Vitas-M small molecule compound
(2E)-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK823124
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=C(/S(=O)(=O)c1ccccc1)\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 C27H21N3O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S/c1-2-17-33-24-15-13-21(14-16-24)27-22(20-30(29-27)23-9-5-3-6-10-23)18-26(19-28)34(31,32)25-11-7-4-8-12-25/h2-16,18,20H,1,17H2/b26-18+InChIKey
OGQUUTKIISDEJF-NLRVBDNBSA-NSynonyms
(2E)3(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)2(phenylsulfonyl)prop2enenitrile
(E)2(benzenesulfonyl)3(1phenyl3(4prop2enoxyphenyl)pyrazol4yl)prop2enenitrile
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
C=CCOc1ccc(cc1)c1nn(cc1C=C(S(=O)(=O)c1ccccc1)C#N)c1ccccc1
InChI=1SC27H21N3O3Sc12173324151321(141624)2722(2030(2927)2395361023)1826(1928)34(3132)25117481225h2161820H117H2b2618+
MFCD03463667
ZINC000026688671
ZINC26688671
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