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3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

Catalog ID
STK813893
SMILES CC(COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=O)O)c1ccccc1)C

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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 C27H27N3O4S2 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S2/c1-17(2)16-34-22-10-9-19(13-18(22)3)25-20(15-30(28-25)21-7-5-4-6-8-21)14-23-26(33)29(27(35)36-23)12-11-24(31)32/h4-10,13-15,17H,11-12,16H2,1-3H3,(H,31,32)/b23-14-
InChIKey
HJECDRPHKDYVCH-UCQKPKSFSA-N
Synonyms
955872-65-8
(Z)3(5((3(4isobutoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3(5((3(3METHYL4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOICACID
955872658
CC(COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)OCC(C)C
InChI=1SC27H27N3O4S2c117(2)16342210919(1318(22)3)2520(1530(2825)217546821)142326(33)29(27(35)3623)121124(31)32h410131517H111216H213H3(H3132)b2314
MFCD03664710
ZINC000002369979
ZINC2369979

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Available files

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