Vitas-M small molecule compound
methyl 2-[(2-methoxy-5-{(E)-[(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)imino]methyl}benzyl)oxy]benzoate
Catalog ID
STK314856
SMILES COC(=O)c1ccccc1OCc1cc(/C=N/N2C(=S)SCC2=O)ccc1OC
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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 C20H18N2O5S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S2/c1-25-16-8-7-13(10-21-22-18(23)12-29-20(22)28)9-14(16)11-27-17-6-4-3-5-15(17)19(24)26-2/h3-10H,11-12H2,1-2H3/b21-10+InChIKey
JUPSCWSHFNFUGI-UFFVCSGVSA-NSynonyms
866818-84-0866818840
COC(=O)c1ccccc1OCc1cc(C=NN2C(=S)SCC2=O)ccc1OC
COC1=C(C=C(C=C1)C=NN2C(=O)CSC2=S)COC3=CC=CC=C3C(=O)OC
InChI=1SC20H18N2O5S2c125168713(10212218(23)122920(22)28)914(16)112717643515(17)19(24)262h310H1112H212H3b2110+
methyl2((2methoxy5((E)((4oxo2thioxo13thiazolidin3yl)imino)methyl)benzyl)oxy)benzoate
methyl2((2methoxy5((E)(4oxo2sulfanylidene13thiazolidin3yl)iminomethyl)phenyl)methoxy)benzoate
MFCD08553514
ZINC000013961166
ZINC59847588
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