Vitas-M small molecule compound
3-({4-[(Z)-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STL492065
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C/1\SC(=S)N=C1O
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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 C19H15NO5S2 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO5S2/c1-24-15-8-11(9-16-17(21)20-19(26)27-16)5-6-14(15)25-10-12-3-2-4-13(7-12)18(22)23/h2-9H,10H2,1H3,(H,22,23)(H,20,21,26)/b16-9-InChIKey
NLOLDCJAJMMYCK-SXGWCWSVSA-NSynonyms
3((2METHOXY4((Z)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2METHOXY4((Z)(4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((Z)(4hydroxy2thioxo13thiazol5(2H)ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OCC3=CC=CC(=C3)C(=O)O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C1SC(=S)N=C1O
InChI=1SC19H15NO5S2c12415811(91617(21)2019(26)2716)5614(15)25101232413(712)18(22)23h29H10H21H3(H2223)(H202126)b169
MFCD30714908
ZINC000013809837
ZINC13809837
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