Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379664
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2
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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 C26H20ClNO5S2 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClNO5S2/c1-2-30-22-11-16(7-9-20(22)31-14-17-5-3-4-6-19(17)27)12-24-25(29)28(26(34)35-24)18-8-10-21-23(13-18)33-15-32-21/h3-13H,2,14-15H2,1H3/b24-12+InChIKey
FHCAMGSKXWNNAX-WYMPLXKRSA-NSynonyms
(5E)3(13BENZODIOXOL5YL)5((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5yl)5(4((2chlorobenzyl)oxy)3ethoxybenzylidene)2thioxo13thiazolidin4one
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC26H20ClNO5S2c1230221116(7920(22)311417534619(17)27)122425(29)28(26(34)3524)188102123(1318)33153221h313H21415H21H3b2412+
MFCD04085635
ZINC000100364133
ZINC100364133
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