Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177283
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/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 C20H19F2N5O4S MW 463.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F2N5O4S/c1-12-8-15(5-6-16(12)27(28)29)31-11-14-9-13(4-7-17(14)30-2)10-23-26-19(18(21)22)24-25-20(26)32-3/h4-10,18H,11H2,1-3H3/b23-10+InChIKey
BVVKIHQBRXIHAV-AUEPDCJTSA-NSynonyms
828288-02-4(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828288024
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H19F2N5O4Sc112815(5616(12)27(28)29)311114913(4717(14)302)10232619(18(21)22)242520(26)323h41018H11H213H3b2310+
MFCD04052653
ZINC000002792658
ZINC2792657
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