Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813346
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)C)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 C28H30FN3OS2 MW 507.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3OS2/c1-4-6-10-20(5-2)17-31-27(33)25(35-28(31)34)16-22-18-32(23-11-8-7-9-12-23)30-26(22)21-14-13-19(3)24(29)15-21/h7-9,11-16,18,20H,4-6,10,17H2,1-3H3/b25-16-InChIKey
QVCFOVCSIKGCQD-XYGWBWBKSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(3fluoro4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(3fluoro4methylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3(2ETHYLHEXYL)5((3(3FLUORO4METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)C)c2ccccc2)C1=O)CC
InChI=1SC28H30FN3OS2c1461020(52)173127(33)25(3528(31)34)16221832(23118791223)3026(22)21141319(3)24(29)1521h7911161820H461017H213H3b2516
MFCD04441504
ZINC000016805374
ZINC000016805376
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