Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798991
SMILES COc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(C)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 C25H25N3O2S2 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2S2/c1-16(2)14-27-24(29)22(32-25(27)31)13-19-15-28(20-8-6-5-7-9-20)26-23(19)18-10-11-21(30-4)17(3)12-18/h5-13,15-16H,14H2,1-4H3/b22-13-InChIKey
KOYHYYIFTSIHPO-XKZIYDEJSA-NSynonyms
(5Z)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)OC
COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(C)C)c1ccccc1
InChI=1SC25H25N3O2S2c116(2)142724(29)22(3225(27)31)13191528(208657920)2623(19)18101121(304)17(3)1218h5131516H14H214H3b2213
MFCD03462177
ZINC000016700627
ZINC16700627
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