Vitas-M small molecule compound
(2E)-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK810952
SMILES CCCCOc1ccc(cc1)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/c1-3-4-18-35-26-14-12-23(13-15-26)29-24(21-32(31-29)25-8-6-5-7-9-25)19-28(20-30)36(33,34)27-16-10-22(2)11-17-27/h5-17,19,21H,3-4,18H2,1-2H3/b28-19+InChIKey
KZWFZBFQULVELV-TURZUDJPSA-NSynonyms
(2E)3(3(4butoxyphenyl)1phenyl1Hpyrazol4yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C(S(=O)(=O)c1ccc(cc1)C)C#N)c1ccccc1
InChI=1SC29H27N3O3Sc134183526141223(131526)2924(2132(3129)258657925)1928(2030)36(3334)27161022(2)111727h5171921H3418H212H3b2819+
MFCD06264811
ZINC000016713524
ZINC16713524
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