Vitas-M small molecule compound
methyl 5-({4-[(E)-{[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]-2,6-dimethoxyphenoxy}methyl)furan-2-carboxylate
Catalog ID
STL173776
SMILES COc1cc(/C=N/n2c(S)nnc2C(F)F)cc(c1OCc1ccc(o1)C(=O)OC)OC
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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 C19H18F2N4O6S MW 468.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F2N4O6S/c1-27-13-6-10(8-22-25-17(16(20)21)23-24-19(25)32)7-14(28-2)15(13)30-9-11-4-5-12(31-11)18(26)29-3/h4-8,16H,9H2,1-3H3,(H,24,32)/b22-8+InChIKey
VPHABWIVTPDVMY-GZIVZEMBSA-NSynonyms
828284-09-9828284099
COC1=CC(=CC(=C1OCC2=CC=C(O2)C(=O)OC)OC)C=NN3C(=NNC3=S)C(F)F
COc1cc(C=Nn2c(S)nnc2C(F)F)cc(c1OCc1ccc(o1)C(=O)OC)OC
InChI=1SC19H18F2N4O6Sc12713610(8222517(16(20)21)232419(25)32)714(282)15(13)309114512(3111)18(26)293h4816H9H213H3(H2432)b228+
methyl5((4((E)((3(difluoromethyl)5sulfanyl4H124triazol4yl)imino)methyl)26dimethoxyphenoxy)methyl)furan2carboxylate
methyl5((4((E)(3(difluoromethyl)5sulfanylidene1H124triazol4yl)iminomethyl)26dimethoxyphenoxy)methyl)furan2carboxylate
MFCD04047823
ZINC000002791708
ZINC2791707
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