Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812802
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)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 C29H24FN3O2S2 MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O2S2/c1-3-35-25-15-14-21(16-24(25)30)27-22(18-32(31-27)23-12-8-5-9-13-23)17-26-28(34)33(29(36)37-26)19(2)20-10-6-4-7-11-20/h4-19H,3H2,1-2H3/b26-17-InChIKey
HVHHPPYOBGEAEZ-ONUIUJJFSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)3(1phenylethyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(1PHENYLETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)C5=CC=CC=C5)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)c1ccccc1
InChI=1SC29H24FN3O2S2c133525151421(1624(25)30)2722(1832(3127)23128591323)172628(34)33(29(36)3726)19(2)20106471120h419H3H212H3b2617
MFCD03506521
ZINC000097946490
ZINC000097946491
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