Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK577659
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-5-6-7-11-16-31-28(33)26(36-29(31)35)18-22-19-32(23-12-9-8-10-13-23)30-27(22)25-15-14-24(17-21(25)4)34-20(2)3/h8-10,12-15,17-20H,5-7,11,16H2,1-4H3/b26-18-InChIKey
MZVBERBLEIKQEU-ITYLOYPMSA-NSynonyms
956973-49-2(5Z)3hexyl5((3(2methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(2methyl4propan2yloxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3hexyl5((3(4isopropoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
956973492
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c156711163128(33)26(3629(31)35)18221932(231298101323)3027(22)25151424(1721(25)4)3420(2)3h81012151720H571116H214H3b2618
MFCD03664097
ZINC000009347839
ZINC09347839
ZINC9347839
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