Vitas-M small molecule compound
6-[(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK812930
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=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 C27H26FN3O4S2 MW 539.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O4S2/c1-2-35-22-13-12-18(15-21(22)28)25-19(17-31(29-25)20-9-5-3-6-10-20)16-23-26(34)30(27(36)37-23)14-8-4-7-11-24(32)33/h3,5-6,9-10,12-13,15-17H,2,4,7-8,11,14H2,1H3,(H,32,33)/b23-16-InChIKey
NUQSJTCNFNHUOO-KQWNVCNZSA-NSynonyms
6((5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
6(5((3(4ETHOXY3FLUOROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)HEXANOICACID
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
InChI=1SC27H26FN3O4S2c123522131218(1521(22)28)2519(1731(2925)2095361020)162326(34)30(27(36)3723)148471124(32)33h35691012131517H24781114H21H3(H3233)b2316
MFCD03506571
ZINC000100870742
ZINC100870742
Check stock
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Check stock on Vitas-MAvailable files
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