Vitas-M small molecule compound
2-methoxy-4-{(E)-[(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)imino]methyl}phenyl 4-fluorobenzoate
Catalog ID
STL418460
SMILES COc1cc(/C=N/N2C(=S)SCC2=O)ccc1OC(=O)c1ccc(cc1)F
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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 C18H13FN2O4S2 MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN2O4S2/c1-24-15-8-11(9-20-21-16(22)10-27-18(21)26)2-7-14(15)25-17(23)12-3-5-13(19)6-4-12/h2-9H,10H2,1H3/b20-9+InChIKey
KEFIDRSOHODSSW-AWQFTUOYSA-NSynonyms
(2METHOXY4((E)(4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)IMINOMETHYL)PHENYL)4FLUOROBENZOATE
2methoxy4((E)((4oxo2thioxo13thiazolidin3yl)imino)methyl)phenyl4fluorobenzoate
COC1=C(C=CC(=C1)C=NN2C(=O)CSC2=S)OC(=O)C3=CC=C(C=C3)F
COc1cc(C=NN2C(=S)SCC2=O)ccc1OC(=O)c1ccc(cc1)F
InChI=1SC18H13FN2O4S2c12415811(9202116(22)102718(21)26)2714(15)2517(23)123513(19)6412h29H10H21H3b209+
MFCD02614878
ZINC000001156724
ZINC33314424
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