Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK812804
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(CC)C)c1ccccc1
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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 C25H24FN3O2S2 MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O2S2/c1-4-16(3)29-24(30)22(33-25(29)32)14-18-15-28(19-9-7-6-8-10-19)27-23(18)17-11-12-21(31-5-2)20(26)13-17/h6-16H,4-5H2,1-3H3/b22-14-InChIKey
BCODIZRNKOXFFE-HMAPJEAMSA-NSynonyms
(5Z)3(butan2yl)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(4ethoxy3fluorophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)F)C4=CC=CC=C4)SC1=S
CCOc1ccc(cc1F)c1nn(cc1C=C1SC(=S)N(C1=O)C(CC)C)c1ccccc1
InChI=1SC25H24FN3O2S2c1416(3)2924(30)22(3325(29)32)14181528(1997681019)2723(18)17111221(3152)20(26)1317h616H45H213H3b2214
MFCD06265080
ZINC000016729214
ZINC000016729216
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