Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-[3-methoxy-4-(2-methylpropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379672
SMILES COc1cc(ccc1OCC(C)C)/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 C22H21NO5S2 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S2/c1-13(2)11-26-16-6-4-14(8-18(16)25-3)9-20-21(24)23(22(29)30-20)15-5-7-17-19(10-15)28-12-27-17/h4-10,13H,11-12H2,1-3H3/b20-9+InChIKey
BRWYMPDSTYJFOS-AWQFTUOYSA-NSynonyms
(5E)3(13BENZODIOXOL5YL)5((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5yl)5(3methoxy4(2methylpropoxy)benzylidene)2thioxo13thiazolidin4one
CC(C)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)OC
COc1cc(ccc1OCC(C)C)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC22H21NO5S2c113(2)1126166414(818(16)253)92021(24)23(22(29)3020)15571719(1015)28122717h41013H1112H213H3b209+
MFCD04085645
ZINC000001417240
ZINC01417240
ZINC1417240
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