Vitas-M small molecule compound
methyl 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Catalog ID
STK843095
SMILES COC(=O)c1ccc(cc1)N1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O
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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 C19H13NO5S2 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13NO5S2/c1-23-18(22)12-3-5-13(6-4-12)20-17(21)16(27-19(20)26)9-11-2-7-14-15(8-11)25-10-24-14/h2-9H,10H2,1H3/b16-9+InChIKey
ACGKPIWJDXSTQY-CXUHLZMHSA-NSynonyms
433309-47-8(E)methyl4(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)benzoate
433309478
COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
COC(=O)c1ccc(cc1)N1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC19H13NO5S2c12318(22)123513(6412)2017(21)16(2719(20)26)911271415(811)25102414h29H10H21H3b169+
METHYL4((5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZOATE
methyl4((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)benzoate
METHYL4(5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOATE
MFCD02960344
ZINC000004469774
ZINC04469774
ZINC4469774
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