Vitas-M small molecule compound
4-[(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK812931
SMILES CCOc1ccc(cc1F)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 C25H22FN3O4S2 MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O4S2/c1-2-33-20-11-10-16(13-19(20)26)23-17(15-29(27-23)18-7-4-3-5-8-18)14-21-24(32)28(25(34)35-21)12-6-9-22(30)31/h3-5,7-8,10-11,13-15H,2,6,9,12H2,1H3,(H,30,31)/b21-14-InChIKey
LWXQOUTYRZTNDQ-STZFKDTASA-NSynonyms
4((5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5((3(4ETHOXY3FLUOROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)BUTANOICACID
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC25H22FN3O4S2c123320111016(1319(20)26)2317(1529(2723)187435818)142124(32)28(25(34)3521)126922(30)31h357810111315H26912H21H3(H3031)b2114
MFCD03506566
ZINC000002508729
ZINC2508729
Check stock
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Check stock on Vitas-MAvailable files
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