Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812800
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C27H26FN3O2S2 MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O2S2/c1-2-33-23-14-13-18(15-22(23)28)25-19(17-30(29-25)20-9-5-3-6-10-20)16-24-26(32)31(27(34)35-24)21-11-7-4-8-12-21/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12H2,1H3/b24-16-InChIKey
RHXUYHWESJVQFQ-JLPGSUDCSA-NSynonyms
(5Z)3cyclohexyl5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)F
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC27H26FN3O2S2c123323141318(1522(23)28)2519(1730(2925)2095361020)162426(32)31(27(34)3524)21117481221h356910131721H24781112H21H3b2416
MFCD03506531
ZINC000016729211
ZINC16729211
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