Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813085
SMILES CCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)C)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/c1-3-4-18-36-27-16-14-24(15-17-27)29-25(21-34(32-29)26-8-6-5-7-9-26)19-28-30(35)33(31(37)38-28)20-23-12-10-22(2)11-13-23/h5-17,19,21H,3-4,18,20H2,1-2H3/b28-19-InChIKey
PTWFPNRIQLZNQI-USHMODERSA-NSynonyms
(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
5((3(4BUTOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4METHYLBENZYL)2THIOXOTHIAZOLIDIN4ONE
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC31H29N3O2S2c134183627161424(151727)2925(2134(3229)268657926)192830(35)33(31(37)3828)2023121022(2)111323h5171921H341820H212H3b2819
MFCD03665709
ZINC000100870814
ZINC100870814
Check stock
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Check stock on Vitas-MAvailable files
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