Vitas-M small molecule compound
[(5Z)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK880845
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)/C1=O
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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 C22H16FN3O3S2 MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O3S2/c1-13-7-8-14(9-17(13)23)20-15(11-26(24-20)16-5-3-2-4-6-16)10-18-21(29)25(12-19(27)28)22(30)31-18/h2-11H,12H2,1H3,(H,27,28)/b18-10-InChIKey
KWPBTAXWJGGWKL-ZDLGFXPLSA-NSynonyms
((5Z)5((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3(3FLUORO4METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((3(3FLUORO4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)ACETICACID
CC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4)F
InChI=1SC22H16FN3O3S2c1137814(917(13)23)2015(1126(2420)165324616)101821(29)25(1219(27)28)22(30)3118h211H12H21H3(H2728)b1810
MFCD04441396
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)C1=O
ZINC000016805334
ZINC16805334
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