Vitas-M small molecule compound
6-[(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK880719
SMILES COc1cc(ccc1OC)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 C27H27N3O5S2 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S2/c1-34-21-13-12-18(15-22(21)35-2)25-19(17-30(28-25)20-9-5-3-6-10-20)16-23-26(33)29(27(36)37-23)14-8-4-7-11-24(31)32/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14H2,1-2H3,(H,31,32)/b23-16-InChIKey
DQORVVSOMHNHPA-KQWNVCNZSA-NSynonyms
6((5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
6(5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)HEXANOICACID
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)OC
COc1cc(ccc1OC)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
InChI=1SC27H27N3O5S2c13421131218(1522(21)352)2519(1730(2825)2095361020)162326(33)29(27(36)3723)148471124(31)32h35691012131517H4781114H212H3(H3132)b2316
MFCD04441313
ZINC000100870999
ZINC100870999
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.