Vitas-M small molecule compound
(5Z)-3-butyl-5-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703196
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC=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 C27H27N3O2S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S2/c1-4-6-14-29-26(31)24(34-27(29)33)17-20-18-30(21-10-8-7-9-11-21)28-25(20)23-13-12-22(16-19(23)3)32-15-5-2/h5,7-13,16-18H,2,4,6,14-15H2,1,3H3/b24-17-InChIKey
CDIMLGCPAAVKSV-ULJHMMPZSA-NSynonyms
955867-98-8(5Z)3butyl5((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((3(2methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4(allyloxy)2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3butyl2thioxothiazolidin4one
955867988
CCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC=C)c2ccccc2)C1=O
InChI=1SC27H27N3O2S2c146142926(31)24(3427(29)33)17201830(21108791121)2825(20)23131222(1619(23)3)321552h57131618H2461415H213H3b2417
MFCD03667609
ZINC000013647095
ZINC13647095
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