Vitas-M small molecule compound
(5Z)-3-octyl-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703759
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c[nH]nc2c2ccccc2)/C1=O
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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 C21H25N3OS2 MW 399.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3OS2/c1-2-3-4-5-6-10-13-24-20(25)18(27-21(24)26)14-17-15-22-23-19(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3,(H,22,23)/b18-14-InChIKey
OUHXIGYAGBTARV-JXAWBTAJSA-NSynonyms
(5Z)3octyl5((3phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3OCTYL5((5PHENYL1HPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3octyl5((3phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(nH)nc2c2ccccc2)C1=O
InChI=1SC21H25N3OS2c12345610132420(25)18(2721(24)26)141715222319(17)16118791216h7911121415H261013H21H3(H2223)b1814
MFCD03664251
ZINC000002368811
ZINC2368811
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