Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702684
SMILES CCCOc1ccc(cc1)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 C28H29N3O2S2 MW 503.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S2/c1-2-17-33-24-15-13-20(14-16-24)26-21(19-30(29-26)22-9-5-3-6-10-22)18-25-27(32)31(28(34)35-25)23-11-7-4-8-12-23/h3,5-6,9-10,13-16,18-19,23H,2,4,7-8,11-12,17H2,1H3/b25-18-InChIKey
UPWNHXGBULLTEF-BWAHOGKJSA-NSynonyms
(5Z)3cyclohexyl5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5
CCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC28H29N3O2S2c12173324151320(141624)2621(1930(2926)2295361022)182527(32)31(28(34)3525)23117481223h3569101316181923H2478111217H21H3b2518
MFCD02985733
ZINC000013785739
ZINC13785739
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