Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703031
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC(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 C33H41N3O2S2 MW 575.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O2S2/c1-5-6-7-8-9-13-19-35-32(37)30(40-33(35)39)22-27-23-36(28-14-11-10-12-15-28)34-31(27)26-16-17-29(25(4)21-26)38-20-18-24(2)3/h10-12,14-17,21-24H,5-9,13,18-20H2,1-4H3/b30-22-InChIKey
NTABRPFJWVCRSX-SWKFRHMKSA-NSynonyms
(5Z)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methyl4(3methylbutoxy)phenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC33H41N3O2S2c15678913193532(37)30(4033(35)39)22272336(28141110121528)3431(27)26161729(25(4)2126)38201824(2)3h101214172124H59131820H214H3b3022
MFCD02988707
ZINC000100838598
ZINC100838598
Check stock
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