Vitas-M small molecule compound
methyl 5-({4-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenoxy}methyl)furan-2-carboxylate
Catalog ID
STL176613
SMILES COc1cc(ccc1OCc1ccc(o1)C(=O)OC)/C=N/n1c(SC)nnc1C(F)F
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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 C19H18F2N4O5S MW 452.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F2N4O5S/c1-27-15-8-11(9-22-25-17(16(20)21)23-24-19(25)31-3)4-6-13(15)29-10-12-5-7-14(30-12)18(26)28-2/h4-9,16H,10H2,1-3H3/b22-9+InChIKey
MMXMHYFEUNQAEV-LSFURLLWSA-NSynonyms
828286-31-3828286313
COC1=C(C=CC(=C1)C=NN2C(=NN=C2SC)C(F)F)OCC3=CC=C(O3)C(=O)OC
COc1cc(ccc1OCc1ccc(o1)C(=O)OC)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H18F2N4O5Sc12715811(9222517(16(20)21)232419(25)313)4613(15)2910125714(3012)18(26)282h4916H10H213H3b229+
methyl5((4((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)2methoxyphenoxy)methyl)furan2carboxylate
methyl5((4((E)(3(difluoromethyl)5methylsulfanyl124triazol4yl)iminomethyl)2methoxyphenoxy)methyl)furan2carboxylate
MFCD04049722
ZINC000002792238
ZINC2792237
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