Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706628
SMILES CCCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(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 C26H26ClN3O2S2 MW 512.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O2S2/c1-4-5-13-32-22-12-11-18(14-21(22)27)24-19(16-29(28-24)20-9-7-6-8-10-20)15-23-25(31)30(17(2)3)26(33)34-23/h6-12,14-17H,4-5,13H2,1-3H3/b23-15-InChIKey
WVHTVYYKMQNSDH-HAHDFKILSA-NSynonyms
1009187-16-9(5Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)3(propan2yl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy3chlorophenyl)1phenyl1Hpyrazol4yl)methylene)3isopropyl2thioxothiazolidin4one
1009187169
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)C)C4=CC=CC=C4)Cl
CCCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)C(C)C)c1ccccc1
InChI=1SC26H26ClN3O2S2c145133222121118(1421(22)27)2419(1629(2824)2097681020)152325(31)30(17(2)3)26(33)3423h6121417H4513H213H3b2315
MFCD04005313
ZINC000013750700
ZINC13750700
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