Vitas-M small molecule compound
(5E)-5-{3-chloro-4-[3-(2,6-dimethylphenoxy)propoxy]-5-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK037647
SMILES COc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCCCOc1c(C)cccc1C)Cl
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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 C22H22ClNO4S2 MW 464.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO4S2/c1-13-6-4-7-14(2)19(13)27-8-5-9-28-20-16(23)10-15(11-17(20)26-3)12-18-21(25)24-22(29)30-18/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,24,25,29)/b18-12+InChIKey
MLCZRYUWEYNAEB-LDADJPATSA-NSynonyms
(5E)5((3chloro4(3(26dimethylphenoxy)propoxy)5methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO4(3(26DIMETHYLPHENOXY)PROPOXY)5METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C(=CC=C1)C)OCCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)S3)OC
COc1cc(C=C2SC(=S)NC2=O)cc(c1OCCCOc1c(C)cccc1C)Cl
InChI=1SC22H22ClNO4S2c11364714(2)19(13)27859282016(23)1015(1117(20)263)121821(25)2422(29)3018h4671012H589H213H3(H242529)b1812+
MFCD08050537
STK037647
ZINC000009280236
ZINC09280236
ZINC9280236
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