Vitas-M small molecule compound
(2Z)-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK823420
SMILES CCCOc1ccc(cc1C)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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-3-16-34-27-15-14-22(17-21(27)2)28-23(20-31(30-28)24-10-6-4-7-11-24)18-26(19-29)35(32,33)25-12-8-5-9-13-25/h4-15,17-18,20H,3,16H2,1-2H3/b26-18-InChIKey
AFZXSLDFEZPUFE-ITYLOYPMSA-NSynonyms
(2Z)3(3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)2(phenylsulfonyl)prop2enenitrile
(E)3(3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)2(phenylsulfonyl)acrylonitrile
(Z)2(BENZENESULFONYL)3(3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C
CCCOc1ccc(cc1C)c1nn(cc1C=C(S(=O)(=O)c1ccccc1)C#N)c1ccccc1
InChI=1SC28H25N3O3Sc13163427151422(1721(27)2)2823(2031(3028)24106471124)1826(1929)35(3233)25128591325h415171820H316H212H3b2618
MFCD03463941
ZINC000027019598
ZINC27019598
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