Vitas-M small molecule compound

4-[(5Z)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK880857
SMILES CCCOc1ccc(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 C26H24FN3O4S2 MW 525.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4S2/c1-2-13-34-21-11-10-17(14-20(21)27)24-18(16-30(28-24)19-7-4-3-5-8-19)15-22-25(33)29(26(35)36-22)12-6-9-23(31)32/h3-5,7-8,10-11,14-16H,2,6,9,12-13H2,1H3,(H,31,32)/b22-15-
InChIKey
SGRKVYBCUWBCFL-JCMHNJIXSA-N
Synonyms

4((5Z)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)BUTANOICACID
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4)F
CCCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC(=O)O)c1ccccc1
InChI=1SC26H24FN3O4S2c12133421111017(1420(21)27)2418(1630(2824)197435819)152225(33)29(26(35)3622)126923(31)32h357810111416H2691213H21H3(H3132)b2215
MFCD03506567
ZINC000100871105
ZINC100871105

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Available files

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