Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702470
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)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 C28H29N3O4S3 MW 567.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S3/c1-3-4-13-35-24-11-10-20(15-19(24)2)26-21(17-30(29-26)22-8-6-5-7-9-22)16-25-27(32)31(28(36)37-25)23-12-14-38(33,34)18-23/h5-11,15-17,23H,3-4,12-14,18H2,1-2H3/b25-16-InChIKey
MWTVIMQZPWRVDH-XYGWBWBKSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(11DIOXOTHIOLAN3YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(11dioxidotetrahydrothiophen3yl)2thioxothiazolidin4one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC28H29N3O4S3c134133524111020(1519(24)2)2621(1730(2926)228657922)162527(32)31(28(36)3725)23121438(3334)1823h511151723H34121418H212H3b2516
MFCD02996825
ZINC000100836782
ZINC000100836784
Check stock
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Check stock on Vitas-MAvailable files
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