Vitas-M small molecule compound
methyl 5-[(2-methoxy-6-{(E)-[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Catalog ID
STL173884
SMILES COc1cccc(c1OCc1ccc(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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-11-20-21-18(28)22(11)19-9-12-5-4-6-14(24-2)16(12)26-10-13-7-8-15(27-13)17(23)25-3/h4-9H,10H2,1-3H3,(H,21,28)/b19-9+InChIKey
VHSVOKJYKQYBJT-DJKKODMXSA-NSynonyms
828292-29-1828292291
CC1=NNC(=S)N1N=CC2=C(C(=CC=C2)OC)OCC3=CC=C(O3)C(=O)OC
COc1cccc(c1OCc1ccc(o1)C(=O)OC)C=Nn1c(C)nnc1S
InChI=1SC18H18N4O5Sc111202118(28)22(11)1991254614(242)16(12)2610137815(2713)17(23)253h49H10H213H3(H2128)b199+
methyl5((2methoxy6((E)((3methyl5sulfanyl4H124triazol4yl)imino)methyl)phenoxy)methyl)furan2carboxylate
methyl5((2methoxy6((E)(3methyl5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)methyl)furan2carboxylate
MFCD04056721
ZINC000008511557
ZINC33523452
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