Vitas-M small molecule compound
(2E)-2-[(4-chlorophenyl)sulfonyl]-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK823123
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=C(/S(=O)(=O)c1ccc(cc1)Cl)\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 C27H20ClN3O3S MW 501.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O3S/c1-2-16-34-24-12-8-20(9-13-24)27-21(19-31(30-27)23-6-4-3-5-7-23)17-26(18-29)35(32,33)25-14-10-22(28)11-15-25/h2-15,17,19H,1,16H2/b26-17+InChIKey
WKUQNSMPCFDIIY-YZSQISJMSA-NSynonyms
(2E)2((4chlorophenyl)sulfonyl)3(1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)prop2enenitrile
(E)2(4chlorophenyl)sulfonyl3(1phenyl3(4prop2enoxyphenyl)pyrazol4yl)prop2enenitrile
C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
C=CCOc1ccc(cc1)c1nn(cc1C=C(S(=O)(=O)c1ccc(cc1)Cl)C#N)c1ccccc1
InChI=1SC27H20ClN3O3Sc1216342412820(91324)2721(1931(3027)236435723)1726(1829)35(3233)25141022(28)111525h2151719H116H2b2617+
MFCD03463666
ZINC000027018563
ZINC27018563
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