Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813835
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCC(C)C)c2ccccc2)/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 C32H39N3O2S2 MW 561.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O2S2/c1-5-6-7-8-9-13-18-34-31(36)29(39-32(34)38)20-26-21-35(27-14-11-10-12-15-27)33-30(26)25-16-17-28(24(4)19-25)37-22-23(2)3/h10-12,14-17,19-21,23H,5-9,13,18,22H2,1-4H3/b29-20-InChIKey
VYDSIBJKLVJALD-BRPDVVIDSA-NSynonyms
(5Z)5((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
5((3(4ISOBUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3OCTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC32H39N3O2S2c15678913183431(36)29(3932(34)38)20262135(27141110121527)3330(26)25161728(24(4)1925)372223(2)3h10121417192123H59131822H214H3b2920
MFCD04441786
ZINC000100871836
ZINC100871836
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