Vitas-M small molecule compound
(5Z)-3-pentyl-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808707
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2c(C)cc(cc2C)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 C27H29N3OS2 MW 475.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3OS2/c1-5-6-10-13-29-26(31)23(33-27(29)32)16-21-17-30(22-11-8-7-9-12-22)28-25(21)24-19(3)14-18(2)15-20(24)4/h7-9,11-12,14-17H,5-6,10,13H2,1-4H3/b23-16-InChIKey
RAWKWRKWWVIIIC-KQWNVCNZSA-NSynonyms
(5Z)3pentyl5((1phenyl3(246trimethylphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3PENTYL5((1PHENYL3(246TRIMETHYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3C)C)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2c(C)cc(cc2C)C)c2ccccc2)C1=O
InChI=1SC27H29N3OS2c15610132926(31)23(3327(29)32)16211730(22118791222)2825(21)2419(3)1418(2)1520(24)4h7911121417H561013H214H3b2316
MFCD02713623
ZINC000002666925
ZINC02666925
ZINC2666925
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