Vitas-M small molecule compound
(5Z)-3-dodecyl-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK814887
SMILES CCCCCCCCCCCCN1C(=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 C36H47N3O2S2 MW 617.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H47N3O2S2/c1-5-6-7-8-9-10-11-12-13-17-22-38-35(40)33(43-36(38)42)24-30-25-39(31-18-15-14-16-19-31)37-34(30)29-20-21-32(28(4)23-29)41-26-27(2)3/h14-16,18-21,23-25,27H,5-13,17,22,26H2,1-4H3/b33-24-InChIKey
ORRPOYCBXYPDOV-GIBOGKFOSA-NSynonyms
(5Z)3dodecyl5((3(3methyl4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3dodecyl5((3(3methyl4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC36H47N3O2S2c1567891011121317223835(40)33(4336(38)42)24302539(31181514161931)3734(30)29202132(28(4)2329)412627(2)3h14161821232527H513172226H214H3b3324
MFCD04442379
ZINC000100873095
ZINC100873095
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