Vitas-M small molecule compound

methyl 5-[(2-ethoxy-4-{(E)-[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate

Catalog ID
STK307327
SMILES CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)/C=N/n1c(C)nnc1S

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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 C19H20N4O5S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5S/c1-4-26-17-9-13(10-20-23-12(2)21-22-19(23)29)5-7-15(17)27-11-14-6-8-16(28-14)18(24)25-3/h5-10H,4,11H2,1-3H3,(H,22,29)/b20-10+
InChIKey
HBLROKZDDFCFMD-KEBDBYFISA-N
Synonyms
828291-45-8
828291458
CCOC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C)OCC3=CC=C(O3)C(=O)OC
CCOc1cc(ccc1OCc1ccc(o1)C(=O)OC)C=Nn1c(C)nnc1S
InChI=1SC19H20N4O5Sc142617913(10202312(2)212219(23)29)5715(17)2711146816(2814)18(24)253h510H411H213H3(H2229)b2010+
methyl5((2ethoxy4((E)((3methyl5sulfanyl4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((2ethoxy4((E)(3methyl5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04056669
ZINC000008477986
ZINC2793444

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Available files

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