Vitas-M small molecule compound
(5Z)-3-dodecyl-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK814888
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)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 C35H45N3O2S2 MW 603.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45N3O2S2/c1-4-5-6-7-8-9-10-11-12-16-23-37-34(39)32(42-35(37)41)24-29-25-38(30-17-14-13-15-18-30)36-33(29)28-19-21-31(22-20-28)40-26-27(2)3/h13-15,17-22,24-25,27H,4-12,16,23,26H2,1-3H3/b32-24-InChIKey
PZQBOEPHCOCOLI-TZHWMEPESA-NSynonyms
(5Z)3dodecyl5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3dodecyl5((3(4(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC(C)C)c2ccccc2)C1=O
InChI=1SC35H45N3O2S2c145678910111216233734(39)32(4235(37)41)24292538(30171413151830)3633(29)28192131(222028)402627(2)3h13151722242527H412162326H213H3b3224
MFCD04442380
ZINC000100873096
ZINC100873096
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