Vitas-M small molecule compound
(5Z)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706946
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OC)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-3-4-5-6-7-11-17-30-27(32)25(35-28(30)34)19-22-20-31(23-14-9-8-10-15-23)29-26(22)21-13-12-16-24(18-21)33-2/h8-10,12-16,18-20H,3-7,11,17H2,1-2H3/b25-19-InChIKey
UKLBRXJIGHIQJI-PLRJNAJWSA-NSynonyms
1009770-00-6(5Z)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(3methoxyphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
1009770006
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OC)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c13456711173027(32)25(3528(30)34)19222031(231498101523)2926(22)2113121624(1821)332h81012161820H371117H212H3b2519
MFCD04030663
ZINC000101085274
ZINC101085274
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