Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702696
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCC)c2ccccc2)/C1=O)CC
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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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-5-8-12-22(6-2)19-32-29(34)27(37-30(32)36)18-24-20-33(25-13-10-9-11-14-25)31-28(24)23-15-16-26(35-7-3)21(4)17-23/h9-11,13-18,20,22H,5-8,12,19H2,1-4H3/b27-18-InChIKey
TZLVVZUWUKVWJO-IMRQLAEWSA-NSynonyms
(5Z)5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3(2ethylhexyl)2sulfanylidene13thiazolidin4one
(Z)5((3(4ethoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(2ethylhexyl)2thioxothiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCC)c2ccccc2)C1=O)CC
InChI=1SC30H35N3O2S2c1581222(62)193229(34)27(3730(32)36)18242033(2513109111425)3128(24)23151626(3573)21(4)1723h91113182022H581219H214H3b2718
MFCD02985346
ZINC000008766495
ZINC000008766496
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