Vitas-M small molecule compound
(2Z)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK823485
SMILES CCOc1ccc(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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c1-3-33-26-15-14-21(16-20(26)2)27-22(19-30(29-27)23-10-6-4-7-11-23)17-25(18-28)34(31,32)24-12-8-5-9-13-24/h4-17,19H,3H2,1-2H3/b25-17-InChIKey
BWJATXWCHCKBCQ-UQQQWYQISA-NSynonyms
(2Z)3(3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)2(phenylsulfonyl)prop2enenitrile
(Z)2(BENZENESULFONYL)3(3(4ETHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C
CCOc1ccc(cc1C)c1nn(cc1C=C(S(=O)(=O)c1ccccc1)C#N)c1ccccc1
InChI=1SC27H23N3O3Sc133326151421(1620(26)2)2722(1930(2927)23106471123)1725(1828)34(3132)24128591324h41719H3H212H3b2517
MFCD03463990
ZINC000027019827
ZINC27019827
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