Vitas-M small molecule compound
methyl 5-[(2-methoxy-4-{(E)-[(3-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Catalog ID
STK306813
SMILES COC(=O)c1ccc(o1)COc1ccc(cc1OC)/C=N/n1cnnc1S
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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 C17H16N4O5S MW 388.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O5S/c1-23-15-7-11(8-19-21-10-18-20-17(21)27)3-5-13(15)25-9-12-4-6-14(26-12)16(22)24-2/h3-8,10H,9H2,1-2H3,(H,20,27)/b19-8+InChIKey
YACCHYQGRYPZRI-UFWORHAWSA-NSynonyms
828285-14-9828285149
COC(=O)c1ccc(o1)COc1ccc(cc1OC)C=Nn1cnnc1S
COC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=CC=C(O3)C(=O)OC
InChI=1SC17H16N4O5Sc12315711(8192110182017(21)27)3513(15)259124614(2612)16(22)242h3810H9H212H3(H2027)b198+
methyl5((2methoxy4((E)((3sulfanyl4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((2methoxy4((E)(5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04053612
ZINC000002791940
ZINC2791939
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