Vitas-M small molecule compound
methyl ({5-[(3-chloro-4-fluorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STK468717
SMILES COC(=O)CSc1nnc(n1C)COc1ccc(c(c1)Cl)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 C13H13ClFN3O3S MW 345.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13ClFN3O3S/c1-18-11(16-17-13(18)22-7-12(19)20-2)6-21-8-3-4-10(15)9(14)5-8/h3-5H,6-7H2,1-2H3InChIKey
XIYLJCZLKVMJIY-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)OC)COC2=CC(=C(C=C2)F)Cl
InChI=1SC13H13ClFN3O3Sc11811(161713(18)22712(19)202)62183410(15)9(14)58h35H67H212H3
methyl((5((3chloro4fluorophenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetate
methyl2((5((3chloro4fluorophenoxy)methyl)4methyl124triazol3yl)sulfanyl)acetate
METHYL2(5((3CHLORO4FLUOROPHENOXY)METHYL)4METHYL124TRIAZOL3YLTHIO)ACETATE
MFCD07122265
ZINC000017072039
ZINC17072039
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