Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798996
SMILES COc1ccc(cc1C)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 C27H27N3O2S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S2/c1-18-15-19(13-14-23(18)32-2)25-20(17-29(28-25)21-9-5-3-6-10-21)16-24-26(31)30(27(33)34-24)22-11-7-4-8-12-22/h3,5-6,9-10,13-17,22H,4,7-8,11-12H2,1-2H3/b24-16-InChIKey
HXTIDYWQPQSDHJ-JLPGSUDCSA-NSynonyms
(5Z)3cyclohexyl5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)OC
COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC27H27N3O2S2c1181519(131423(18)322)2520(1729(2825)2195361021)162426(31)30(27(33)3424)22117481222h356910131722H4781112H212H3b2416
MFCD03462182
ZINC000016700634
ZINC16700634
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