Vitas-M small molecule compound
(5Z)-3-hexyl-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799142
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCCC)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/c1-4-6-7-11-16-31-28(33)26(36-29(31)35)19-22-20-32(23-12-9-8-10-13-23)30-27(22)25-15-14-24(18-21(25)3)34-17-5-2/h8-10,12-15,18-20H,4-7,11,16-17H2,1-3H3/b26-19-InChIKey
IRFUFIYQQOFEHJ-XHPQRKPJSA-NSynonyms
955877-92-6(5Z)3hexyl5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(2methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3hexyl5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955877926
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCCC)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCCC)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c146711163128(33)26(3629(31)35)19222032(231298101323)3027(22)25151424(1821(25)3)341752h81012151820H47111617H213H3b2619
MFCD03418112
ZINC000013618979
ZINC13618979
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