Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702463
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C31H29N3O2S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S2/c1-3-4-17-36-27-16-15-24(18-22(27)2)29-25(21-34(32-29)26-13-9-6-10-14-26)19-28-30(35)33(31(37)38-28)20-23-11-7-5-8-12-23/h5-16,18-19,21H,3-4,17,20H2,1-2H3/b28-19-InChIKey
NZYOKTBREYOFRM-USHMODERSA-NSynonyms
(5Z)3benzyl5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC31H29N3O2S2c134173627161524(1822(27)2)2925(2134(3229)261396101426)192830(35)33(31(37)3828)2023117581223h516181921H341720H212H3b2819
MFCD02998290
ZINC000100798099
ZINC100798099
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