Vitas-M small molecule compound
(5Z)-3-butyl-5-({1-phenyl-3-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808901
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)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 C28H30N4O3S3 MW 566.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S3/c1-2-3-18-31-27(33)25(37-28(31)36)19-22-20-32(23-10-6-4-7-11-23)29-26(22)21-12-14-24(15-13-21)38(34,35)30-16-8-5-9-17-30/h4,6-7,10-15,19-20H,2-3,5,8-9,16-18H2,1H3/b25-19-InChIKey
IUESDLOAXIUEJW-PLRJNAJWSA-NSynonyms
(5Z)3butyl5((1phenyl3(4(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((1phenyl3(4piperidin1ylsulfonylphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCCCC2)c2ccccc2)C1=O
InChI=1SC28H30N4O3S3c123183127(33)25(3728(31)36)19222032(23106471123)2926(22)21121424(151321)38(3435)30168591730h46710151920H235891618H21H3b2519
MFCD02711256
ZINC000100740342
ZINC100740342
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