Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-5-(3-hydroxy-4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL379647
SMILES COc1ccc(cc1O)/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 C18H13NO5S2 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO5S2/c1-22-13-4-2-10(6-12(13)20)7-16-17(21)19(18(25)26-16)11-3-5-14-15(8-11)24-9-23-14/h2-8,20H,9H2,1H3/b16-7+InChIKey
BJWYUTHUVWPKSD-FRKPEAEDSA-NSynonyms
(5E)3(13BENZODIOXOL5YL)5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5yl)5(3hydroxy4methoxybenzylidene)2thioxo13thiazolidin4one
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4)O
COc1ccc(cc1O)C=C1SC(=S)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC18H13NO5S2c122134210(612(13)20)71617(21)19(18(25)2616)11351415(811)2492314h2820H9H21H3b167+
MFCD04085611
ZINC000001416609
ZINC01416609
ZINC1416609
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