Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306937
SMILES COc1ccc(cc1COc1ccc(cc1[N+](=O)[O-])C)/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/c1-12-4-6-17(15(8-12)27(28)29)31-11-14-9-13(5-7-16(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
YYZLLCIACZFTBE-AUEPDCJTSA-NSynonyms
828286-45-9(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828286459
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1(N+)(=O)(O))C)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H19F2N5O4Sc1124617(15(812)27(28)29)311114913(5716(14)302)10232619(18(21)22)242520(26)323h41018H11H213H3b2310+
MFCD04053594
ZINC000002792255
ZINC2792254
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