Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813704
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCCC)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 C36H47N3O2S2 MW 617.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H47N3O2S2/c1-4-6-8-9-10-11-12-13-14-18-23-38-35(40)33(43-36(38)42)26-30-27-39(31-19-16-15-17-20-31)37-34(30)29-21-22-32(28(3)25-29)41-24-7-5-2/h15-17,19-22,25-27H,4-14,18,23-24H2,1-3H3/b33-26-InChIKey
LHWYSZMRBKQNGV-MKFPQRGTSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((3(4butoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
5((3(4BUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3DODECYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCCC)c2ccccc2)C1=O
InChI=1SC36H47N3O2S2c14689101112131418233835(40)33(4336(38)42)26302739(31191615172031)3734(30)29212232(28(3)2529)4124752h151719222527H414182324H213H3b3326
MFCD04441721
ZINC000100871685
ZINC100871685
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