Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812786
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C)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 C22H18FN3O2S2 MW 439.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O2S2/c1-3-28-18-10-9-14(11-17(18)23)20-15(12-19-21(27)25(2)22(29)30-19)13-26(24-20)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b19-12-InChIKey
BYXHFDUWYYOLNJ-UNOMPAQXSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3methyl2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)C)c1ccccc1
InChI=1SC22H18FN3O2S2c13281810914(1117(18)23)2015(121921(27)25(2)22(29)3019)1326(2420)167546816h413H3H212H3b1912
MFCD03506446
ZINC000016729175
ZINC16729175
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