Vitas-M small molecule compound
4-[(5Z)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK810731
SMILES COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCC(=O)O)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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-16-13-17(10-11-20(16)32-2)23-18(15-28(26-23)19-7-4-3-5-8-19)14-21-24(31)27(25(33)34-21)12-6-9-22(29)30/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,29,30)/b21-14-InChIKey
WMUKRYAWUQFFSM-STZFKDTASA-NSynonyms
4((5Z)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)OC
COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC25H23N3O4S2c1161317(101120(16)322)2318(1528(2623)197435819)142124(31)27(25(33)3421)126922(29)30h357810111315H6912H212H3(H2930)b2114
MFCD03933027
ZINC000016804883
ZINC16804883
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