Vitas-M small molecule compound
(5E)-5-(4-{2-[(3-fluorobenzyl)sulfanyl]ethoxy}-3-methoxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL367814
SMILES COc1cc(ccc1OCCSCc1cccc(c1)F)/C=C\1/SC(=S)N(C1=O)C
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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 C21H20FNO3S3 MW 449.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO3S3/c1-23-20(24)19(29-21(23)27)12-14-6-7-17(18(11-14)25-2)26-8-9-28-13-15-4-3-5-16(22)10-15/h3-7,10-12H,8-9,13H2,1-2H3/b19-12+InChIKey
WZQPEOACBVGRND-XDHOZWIPSA-NSynonyms
(5E)5((4(2((3fluorophenyl)methylsulfanyl)ethoxy)3methoxyphenyl)methylidene)3methyl2sulfanylidene13thiazolidin4one
(5E)5(4(2((3fluorobenzyl)sulfanyl)ethoxy)3methoxybenzylidene)3methyl2thioxo13thiazolidin4one
CN1C(=O)C(=CC2=CC(=C(C=C2)OCCSCC3=CC(=CC=C3)F)OC)SC1=S
COc1cc(ccc1OCCSCc1cccc(c1)F)C=C1SC(=S)N(C1=O)C
InChI=1SC21H20FNO3S3c12320(24)19(2921(23)27)12146717(18(1114)252)268928131543516(22)1015h371012H8913H212H3b1912+
MFCD28951935
ZINC000096191233
ZINC96191233
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